Acta Crystallographica Section E: Crystallographic Communications最新文献

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Crystal structure of 1,2,3,4-tetra­hydro­isoquinolin-2-ium (2S,3S)-3-carb­oxy-2,3-di­hydroxy­propano­ate monohydrate 1,2,3,4-四氢-异喹啉-2-鎓 (2S,3S)-3- 碳氧-2,3-二羟基丙酸盐一水合物的晶体结构。
IF 0.5
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-06-01 DOI: 10.1107/S2056989024005711
Rüdiger W. Seidel , Tsonko M. Kolev , B. Therrien (Editor)
{"title":"Crystal structure of 1,2,3,4-tetra­hydro­isoquinolin-2-ium (2S,3S)-3-carb­oxy-2,3-di­hydroxy­propano­ate monohydrate","authors":"Rüdiger W. Seidel ,&nbsp;Tsonko M. Kolev ,&nbsp;B. Therrien (Editor)","doi":"10.1107/S2056989024005711","DOIUrl":"10.1107/S2056989024005711","url":null,"abstract":"<div><p>The crystal structure of 1,2,3,4-tetra­hydro­isoquinolin-2-ium (2<em>S</em>,3<em>S</em>)-3-carb­oxy-2,3- di­hydroxy­propano­ate monohydrate (ortho­rhom­bic crystal system, space group <em>P</em>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub>, <em>Z</em> = 4) features an intricate two-dimensional hydrogen-bond network.</p></div><div><p>The crystal structure of 1,2,3,4-tetra­hydro­isoquinolin-2-ium (2<em>S</em>,3<em>S</em>)-3-carb­oxy-2,3-di­hydroxy­propano­ate monohydrate, C<sub>9</sub>H<sub>12</sub>N<sup>+</sup>·C<sub>4</sub>H<sub>5</sub>O<sub>6</sub><sup>−</sup>·H<sub>2</sub>O, at 115 K shows ortho­rhom­bic symmetry (space group <em>P</em>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub>). The hydrogen tartrate anions and solvent water mol­ecules form an intricate diperiodic O—H⋯O hydrogen-bond network parallel to (001). The tetra­hydro­isoquinolinium cations are tethered to the anionic hydrogen-bonded layers through N—H⋯O hydrogen bonds. The crystal packing in the third direction is achieved through van der Waals contacts between the hydro­carbon tails of the tetra­hydro­isoquinolinium cations, resulting in hydro­phobic and hydro­philic regions in the crystal structure.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 7","pages":"Pages 763-766"},"PeriodicalIF":0.5,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11223702/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141554022","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, crystal structure and Hirshfeld surface analysis of 1-[3-(2-oxo-3-phenyl-1,2-di­hydro­quinoxalin-1-yl)prop­yl]-3-phenyl-1,2-di­hydro­quinoxalin-2-one 1-[3-(2-氧代-3-苯基-1,2-二氢喹喔啉-1-基)丙基]-3-苯基-1,2-二氢喹喔啉-2-酮的合成、晶体结构和 Hirshfeld 表面分析
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-05-01 DOI: 10.1107/S2056989024004377
Nadeem Abad , Joel T. Mague , Abdulsalam Alsubari , El Mokhtar Essassi , Abdullah Yahya Abdullah Alzahrani , Youssef Ramli , L. Van Meervelt (Editor)
{"title":"Synthesis, crystal structure and Hirshfeld surface analysis of 1-[3-(2-oxo-3-phenyl-1,2-di­hydro­quinoxalin-1-yl)prop­yl]-3-phenyl-1,2-di­hydro­quinoxalin-2-one","authors":"Nadeem Abad ,&nbsp;Joel T. Mague ,&nbsp;Abdulsalam Alsubari ,&nbsp;El Mokhtar Essassi ,&nbsp;Abdullah Yahya Abdullah Alzahrani ,&nbsp;Youssef Ramli ,&nbsp;L. Van Meervelt (Editor)","doi":"10.1107/S2056989024004377","DOIUrl":"10.1107/S2056989024004377","url":null,"abstract":"<div><p>In the title compound, the di­hydro­quinoxaline units are both essentially planar and the dihedral angle between their mean planes is 64.82 (2)°. In the crystal, C—H⋯O hydrogen bonds form chains along the <em>b</em>-axis direction which are joined by π-stacking and C—H⋯π(ring) inter­actions into the full three-dimensional network structure.</p></div><div><p>In the title compound, C<sub>31</sub>H<sub>24</sub>N<sub>4</sub>O<sub>2</sub>, the di­hydro­quinoxaline units are both essentially planar with the dihedral angle between their mean planes being 64.82 (4)°. The attached phenyl rings differ significantly in their rotational orientations with respect to the di­hydro­quinoxaline planes. In the crystal, one set of C—H⋯O hydrogen bonds form chains along the <em>b</em>-axis direction, which are connected in pairs by a second set of C—H⋯O hydrogen bonds. Two sets of π-stacking inter­actions and C—H⋯π(ring) inter­actions join the double chains into the final three-dimensional structure.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 6","pages":"Pages 610-614"},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140963523","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure and Hirshfeld surface analysis of 3,3′-[ethane-1,2-diylbis(­oxy)]bis­(5,5-di­methyl­cyclo­hex-2-en-1-one) including an unknown solvate 3,3'-[ethane-1,2-diylbis(-oxy)]bis-(5,5-di-methyl-cyclo-hex-2-en-1-one) 包括一种未知溶解物的晶体结构和 Hirshfeld 表面分析。
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-05-01 DOI: 10.1107/S2056989024004286
Nurlana D. Sadikhova , Mehmet Akkurt , Valeh M. Ismayilov , Niftali N. Yusubov , Khudayar I. Hasanov , Ajaya Bhattarai , X. Hao (Editor)
{"title":"Crystal structure and Hirshfeld surface analysis of 3,3′-[ethane-1,2-diylbis(­oxy)]bis­(5,5-di­methyl­cyclo­hex-2-en-1-one) including an unknown solvate","authors":"Nurlana D. Sadikhova ,&nbsp;Mehmet Akkurt ,&nbsp;Valeh M. Ismayilov ,&nbsp;Niftali N. Yusubov ,&nbsp;Khudayar I. Hasanov ,&nbsp;Ajaya Bhattarai ,&nbsp;X. Hao (Editor)","doi":"10.1107/S2056989024004286","DOIUrl":"10.1107/S2056989024004286","url":null,"abstract":"<div><p>In the crystal, the mol­ecules are connected into dimers by C—H⋯O hydrogen bonds with <figure><img></figure> (8) ring motifs, forming zigzag ribbons along the <em>b</em>-axis direction.</p></div><div><p>The title mol­ecule, C<sub>18</sub>H<sub>26</sub>O<sub>4</sub>, consists of two symmetrical halves related by the inversion centre at the mid-point of the central –C—C– bond. The hexene ring adopts an envelope conformation. In the crystal, the mol­ecules are connected into dimers by C—H⋯O hydrogen bonds with <em>R</em> <sup>2</sup> <sub>2</sub>(8) ring motifs, forming zigzag ribbons along the <em>b</em>-axis direction. According to a Hirshfeld surface analysis, H⋯H (68.2%) and O⋯H/H⋯O (25.9%) inter­actions are the most significant contributors to the crystal packing. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015<span>#</span>). <em>Acta Cryst</em>. C<strong>71</strong>, 9–18] in <em>PLATON</em>. The solvent contribution was not included in the reported mol­ecular weight and density.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 6","pages":"Pages 615-619"},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151306/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141282675","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis and crystal structure of the cluster (Et4N)[(Tp*)MoFe3S3(μ3-NSiMe3)(N3)3] (Et4N)[(Tp*)MoFe3S3(μ3-NSiMe3)(N3)3]团簇的合成与晶体结构。
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-05-01 DOI: 10.1107/S2056989024004833
Yue Li , Jia Wei , Jie Han , Xu-Dong Chen , S.-L. Zheng (Editor)
{"title":"Synthesis and crystal structure of the cluster (Et4N)[(Tp*)MoFe3S3(μ3-NSiMe3)(N3)3]","authors":"Yue Li ,&nbsp;Jia Wei ,&nbsp;Jie Han ,&nbsp;Xu-Dong Chen ,&nbsp;S.-L. Zheng (Editor)","doi":"10.1107/S2056989024004833","DOIUrl":"10.1107/S2056989024004833","url":null,"abstract":"<div><p>This type of heterometallic and heteroleptic single cubane cluster represents a typical example within the Mo–Fe–S cluster family, which may be a good reference for understanding the structure and function of the nitro­genase FeMo cofactor.</p></div><div><p>The title compound, tetra­ethyl­ammonium tri­azido­tri-μ<sub>3</sub>-sulfido-[μ<sub>3</sub>-(tri­methyl­sil­yl)aza­nediido][tris­(3,5-di­methyl­pyrazol-1-yl)hydro­borato]triiron(+2.33)molybdenum(IV), (C<sub>8</sub>H<sub>20</sub>N)[Fe<sub>3</sub>MoS<sub>3</sub>(C<sub>15</sub>H<sub>22</sub>BN<sub>6</sub>)(C<sub>3</sub>H<sub>9</sub>NSi)(N<sub>3</sub>)<sub>3</sub>] or (Et<sub>4</sub>N)[(Tp*)MoFe<sub>3</sub>S<sub>3</sub>(μ<sub>3</sub>-NSiMe<sub>3</sub>)(N<sub>3</sub>)<sub>3</sub>] [Tp* = tris­(3,5-di­methyl­pyrazol-1-yl)hydro­bor­ate(1−)], crystallizes as needle-like black crystals in space group <em>P</em> <figure><img></figure> . In this cluster, the Mo site is in a distorted octa­hedral coordination model, coordinating three N atoms on the Tp* ligand and three μ<sub>3</sub>-bridging S atoms in the core. The Fe sites are in a distorted tetra­hedral coordination model, coordinating two μ<sub>3</sub>-bridging S atoms, one μ<sub>3</sub>-bridging N atom from Me<sub>3</sub>SiN<sup>2−</sup>, and another N atom on the terminal azide ligand. This type of heterometallic and heteroleptic single cubane cluster represents a typical example within the Mo–Fe–S cluster family, which may be a good reference for understanding the structure and function of the nitro­genase FeMo cofactor. The residual electron density of disordered solvent mol­ecules in the void space could not be reasonably modeled, thus the SQUEEZE [Spek (2015). <em>Acta Cryst</em>. C<strong>71</strong>, 9–18] function was applied. The solvent contribution is not included in the reported mol­ecular weight and density.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 6","pages":"Pages 691-694"},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151308/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141282690","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, crystal structure and Hirshfeld surface analysis of (3Z)-4-[(4-amino-1,2,5-oxa­diazol-3-yl)amino]-3-bromo-1,1,1-tri­fluoro­but-3-en-2-one (3Z)-4-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-3-bromo-1,1,1-trifluorobut-3-en-2-one 的合成、晶体结构和 Hirshfeld 表面分析
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-05-01 DOI: 10.1107/S2056989024004080
Firudin I. Guseinov , Sevim Türktekin Çelikesir , Mehmet Akkurt , Viacheslav O. Ovsyannikov , Bogdan I. Ugrak , Oksana M. Lavrova , Aida I. Samigullina , Ajaya Bhattarai , B. Therrien (Editor)
{"title":"Synthesis, crystal structure and Hirshfeld surface analysis of (3Z)-4-[(4-amino-1,2,5-oxa­diazol-3-yl)amino]-3-bromo-1,1,1-tri­fluoro­but-3-en-2-one","authors":"Firudin I. Guseinov ,&nbsp;Sevim Türktekin Çelikesir ,&nbsp;Mehmet Akkurt ,&nbsp;Viacheslav O. Ovsyannikov ,&nbsp;Bogdan I. Ugrak ,&nbsp;Oksana M. Lavrova ,&nbsp;Aida I. Samigullina ,&nbsp;Ajaya Bhattarai ,&nbsp;B. Therrien (Editor)","doi":"10.1107/S2056989024004080","DOIUrl":"10.1107/S2056989024004080","url":null,"abstract":"<div><p>In the crystal, mol­ecular pairs are connected by N—H⋯N hydrogen bonds, forming dimers with an <figure><img></figure> (8) motif. The dimers are linked into layers parallel to the (10 <figure><img></figure> ) plane by N—H⋯O hydrogen bonds. In addition, C—O⋯π and C—Br⋯π inter­actions connect the mol­ecules, forming a three-dimensional network.</p></div><div><p>In the title compound, C<sub>6</sub>H<sub>4</sub>BrF<sub>3</sub>N<sub>4</sub>O<sub>2</sub>, the oxa­diazole ring is essentially planar with a maximum deviation of 0.003 (2) Å. In the crystal, mol­ecular pairs are connected by N—H⋯N hydrogen bonds, forming dimers with an <em>R</em> <sup>2</sup> <sub>2</sub>(8) motif. The dimers are linked into layers parallel to the (10 <figure><img></figure> ) plane by N—H⋯O hydrogen bonds. In addition, C—O⋯π and C—Br⋯π inter­actions connect the mol­ecules, forming a three-dimensional network. The F atoms of the tri­fluoro­methyl group are disordered over two sites in a 0.515 (6): 0.485 (6) ratio. The inter­molecular inter­actions in the crystal structure were investigated and qu­anti­fied using Hirshfeld surface analysis.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 6","pages":"Pages 582-585"},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140991232","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure and Hirshfeld surface analysis of dimethyl 2-oxo-4-(pyridin-2-yl)-6-(thio­phen-2-yl)cyclo­hex-3-ene-1,3-di­carboxyl­ate 2-oxo-4-(pyridin-2-yl)-6-(thio-phen-2-yl)cyclo-hex-3-ene-1,3-di-carboxyl-ate 的晶体结构和 Hirshfeld 表面分析。
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-05-01 DOI: 10.1107/S2056989024004687
Farid N. Naghiyev , Victor N. Khrustalev , Mehmet Akkurt , Elnur Z. Huseynov , Ajaya Bhattarai , Ali N. Khalilov , İbrahim G. Mamedov , S.-L. Zheng (Editor)
{"title":"Crystal structure and Hirshfeld surface analysis of dimethyl 2-oxo-4-(pyridin-2-yl)-6-(thio­phen-2-yl)cyclo­hex-3-ene-1,3-di­carboxyl­ate","authors":"Farid N. Naghiyev ,&nbsp;Victor N. Khrustalev ,&nbsp;Mehmet Akkurt ,&nbsp;Elnur Z. Huseynov ,&nbsp;Ajaya Bhattarai ,&nbsp;Ali N. Khalilov ,&nbsp;İbrahim G. Mamedov ,&nbsp;S.-L. Zheng (Editor)","doi":"10.1107/S2056989024004687","DOIUrl":"10.1107/S2056989024004687","url":null,"abstract":"<div><p>In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π inter­actions connect the mol­ecules by forming layers parallel to the (010) plane.</p></div><div><p>In the title compound, C<sub>19</sub>H<sub>17</sub>NO<sub>5</sub>S, the cyclo­hexene ring adopts nearly an envelope conformation. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C—H⋯π inter­actions connect the mol­ecules by forming layers parallel to the (010) plane. According to the Hirshfeld surface analysis, H⋯H (36.9%), O⋯H/H⋯O (31.0%), C⋯H/H⋯C (18.9%) and S⋯H/H⋯S (7.9%) inter­actions are the most significant contributors to the crystal packing.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 6","pages":"Pages 654-658"},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151323/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141282676","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal structure and Hirshfeld surface of a penta­amine­copper(II) complex with urea and chloride 五胺铜(II)与尿素和氯化物复合物的晶体结构和希尔施菲尔德表面。
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-05-01 DOI: 10.1107/S2056989024004298
Olivia D. Breen , Tony D. Keene , L. Suescun (Editor)
{"title":"Crystal structure and Hirshfeld surface of a penta­amine­copper(II) complex with urea and chloride","authors":"Olivia D. Breen ,&nbsp;Tony D. Keene ,&nbsp;L. Suescun (Editor)","doi":"10.1107/S2056989024004298","DOIUrl":"10.1107/S2056989024004298","url":null,"abstract":"<div><p>The title multi-component crystal, [Cu(NH<sub>3</sub>)<sub>5</sub>]Cl<sub>2</sub>·CO(NH<sub>2</sub>)<sub>2</sub>, was synthesized from a deep eutectic solvent to yield an unusual penta­amine­copper(II) complex. Hydrogen bonding takes place between chloride ions and both the penta­amine­copper ions and urea mol­ecules.</p></div><div><p>The reaction of copper(II) oxalate and hexa­methyl­ene­tetra­mine in a deep eutectic solvent made of urea and choline chloride produced crystals of penta­amine­copper(II) dichloride–urea (1/1), [Cu(NH<sub>3</sub>)<sub>5</sub>]Cl<sub>2</sub>·CO(NH<sub>2</sub>)<sub>2</sub>, which was characterized by single-crystal X-ray diffraction. The complex contains discrete penta­amine­copper(II) units in a square-based pyramidal geometry. The overall structure of the multi-component crystal is dictated by hydrogen bonding between urea mol­ecules and amine H atoms with chloride anions.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 6","pages":"Pages 596-600"},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151326/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141282686","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, crystal structure and thermal properties of a new polymorphic modification of diiso­thio­cyanato­tetra­kis­(4-methyl­pyridine)cobalt(II) 二异硫氰基四-(4-甲基吡啶)钴(II)新多晶型改性体的合成、晶体结构和热性能。
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-05-01 DOI: 10.1107/S2056989024004997
Christian Näther , Aleksej Jochim , T. Akitsu (Editor)
{"title":"Synthesis, crystal structure and thermal properties of a new polymorphic modification of diiso­thio­cyanato­tetra­kis­(4-methyl­pyridine)cobalt(II)","authors":"Christian Näther ,&nbsp;Aleksej Jochim ,&nbsp;T. Akitsu (Editor)","doi":"10.1107/S2056989024004997","DOIUrl":"10.1107/S2056989024004997","url":null,"abstract":"<div><p>The crystal structure of title compound consists of discrete complexes in which the Co<sup>II</sup> cations are octa­hedrally coordinated to two terminally N-bonded thio­cyanate anions and four 4-methyl­pyridine coligands and represents a new polymorphic modification of Co(NCS)<sub>2</sub>(4-methyl­pyridine)<sub>4</sub>, which is already reported in the literature.</p></div><div><p>The title compound, [Co(NCS)<sub>2</sub>(C<sub>6</sub>H<sub>7</sub>N)<sub>4</sub>] or Co(NCS)<sub>2</sub>(4-methyl­pyridine)<sub>4</sub>, was prepared by the reaction of Co(NCS)<sub>2</sub> with 4-methyl­pyridine in water and is isotypic to one of the polymorphs of Ni(NCS)<sub>2</sub>(4-methyl­pyridine)<sub>4</sub> [Kerr &amp; Williams (1977<span>#</span>). <em>Acta Cryst.</em> B<strong>33</strong>, 3589–3592 and Soldatov <em>et al.</em> (2004<span>#</span>). <em>Cryst. Growth Des.</em> <strong>4</strong>, 1185–1194]. Comparison of the experimental X-ray powder pattern with that calculated from the single-crystal data proves that a pure phase has been obtained. The asymmetric unit consists of one Co<sup>II</sup> cation, two crystallographically independent thio­cyanate anions and four independent 4-meth­yl­pyridine ligands, all located in general positions. The Co<sup>II</sup> cations are sixfold coordinated to two terminally N-bonded thio­cyanate anions and four 4-methyl­pyridine coligands within slightly distorted octa­hedra. Between the complexes, a number of weak C—H⋯N and C—H⋯S contacts are found. This structure represent a polymorphic modification of Co(NCS)<sub>2</sub>(4-methyl­pyridine)<sub>4</sub> already reported in the CCD [Harris <em>et al.</em> (2003<span>#</span>). <em>NASA Technical Reports</em>, 211890]. In contrast to this form, the crystal structure of the new polymorph shows a denser packing, indicating that it is thermodynamically stable at least at low temperatures. Thermogravimetric and differential thermoanalysis reveal that the title compound starts to decomposes at about 100°C and that the coligands are removed in separate steps without any sign of a polymorphic transition before decomposition.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 6","pages":"Pages 677-681"},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151321/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141282693","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Structural characterization of the supra­molecular complex between a tetra­quinoxaline-based cavitand and benzo­nitrile 基于四喹喔啉的空穴剂与苯甲腈之间的超分子复合物的结构特征。
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-05-01 DOI: 10.1107/S205698902400481X
Roberta Pinalli , Chiara Massera , J. M. Delgado (Editor)
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引用次数: 0
Synthesis and crystal structures of three organoplatinum(II) complexes bearing natural aryl­olefin and quinoline derivatives 含有天然芳基烯烃和喹啉衍生物的三种有机铂(II)配合物的合成和晶体结构
Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-05-01 DOI: 10.1107/S2056989024004572
Nguyen Thi Thanh Chi , Pham Van Thong , Nguyen Manh Thang , Pham Ngoc Thao , Luc Van Meervelt , S. Parkin (Editor)
{"title":"Synthesis and crystal structures of three organoplatinum(II) complexes bearing natural aryl­olefin and quinoline derivatives","authors":"Nguyen Thi Thanh Chi ,&nbsp;Pham Van Thong ,&nbsp;Nguyen Manh Thang ,&nbsp;Pham Ngoc Thao ,&nbsp;Luc Van Meervelt ,&nbsp;S. Parkin (Editor)","doi":"10.1107/S2056989024004572","DOIUrl":"10.1107/S2056989024004572","url":null,"abstract":"<div><p>The synthesis and crystal structures of three organoplatinum(II) complexes bearing natural aryl­olefin and quinoline derivatives are reported.</p></div><div><p>Three organoplatinum(II) complexes bearing natural aryl­olefin and quinoline derivatives, namely, [4-meth­oxy-5-(2-meth­oxy-2-oxoeth­oxy)-2-(prop-2-en-1-yl)phen­yl](quinolin-8-olato)platinum(II), [Pt(C<sub>13</sub>H<sub>15</sub>O<sub>4</sub>)(C<sub>9</sub>H<sub>6</sub>NO)], (<strong>I</strong>), [4-meth­oxy-5-(2-oxo-2-propoxyeth­oxy)-2-(prop-2-en-1-yl)phen­yl](quinoline-2-carboxy­l­ato)platinum(II), [Pt(C<sub>15</sub>H<sub>19</sub>O<sub>4</sub>)(C<sub>10</sub>H<sub>6</sub>NO<sub>2</sub>)], (<strong>II</strong>), and chlorido­[4-meth­oxy-5-(2-oxo-2-propoxyeth­oxy)-2-(prop-2-en-1-yl)phen­yl](quinoline)­plat­inum(II), [Pt(C<sub>15</sub>H<sub>19</sub>O<sub>4</sub>)Cl(C<sub>9</sub>H<sub>7</sub>N)], (<strong>III</strong>), were synthesized and structurally characterized by IR and <sup>1</sup>H NMR spectroscopy, and by single-crystal X-ray diffraction. The results showed that the cyclo­platinated aryl­olefin coordinates with Pt<sup>II</sup> <em>via</em> the carbon atom of the phenyl ring and the C=C<sub>olefinic</sub> group. The deprotonated 8-hy­droxy­quinoline (C<sub>9</sub>H<sub>6</sub>NO) and quinoline-2-carb­oxy­lic acid (C<sub>10</sub>H<sub>6</sub>NO<sub>2</sub>) coordinate with the Pt<sup>II</sup> atom <em>via</em> the N and O atoms in complexes (<strong>I</strong>) and (<strong>II</strong>) while the quinoline (C<sub>9</sub>H<sub>7</sub>N) coordinates <em>via</em> the N atom in (<strong>III</strong>). Moreover, the coordinating N atom in complexes (<strong>I</strong>)–(<strong>III</strong>) is in the <em>cis</em> position compared to the C=C<sub>olefinic</sub> group. The crystal packing is characterized by C—H⋯π, C—H⋯O [for (<strong>II</strong>) and (<strong>III</strong>)], C—H⋯Cl [for (<strong>III</strong>) and π–π [for (<strong>I</strong>)] inter­actions.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 6","pages":"Pages 630-635"},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141118423","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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