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 , Tsonko M. Kolev , 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}
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 , Joel T. Mague , Abdulsalam Alsubari , El Mokhtar Essassi , Abdullah Yahya Abdullah Alzahrani , Youssef Ramli , 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}
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 , Mehmet Akkurt , Valeh M. Ismayilov , Niftali N. Yusubov , Khudayar I. Hasanov , Ajaya Bhattarai , 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}
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 , Jia Wei , Jie Han , Xu-Dong Chen , 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}
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 , Sevim Türktekin Çelikesir , Mehmet Akkurt , Viacheslav O. Ovsyannikov , Bogdan I. Ugrak , Oksana M. Lavrova , Aida I. Samigullina , Ajaya Bhattarai , 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}
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 , Victor N. Khrustalev , Mehmet Akkurt , Elnur Z. Huseynov , Ajaya Bhattarai , Ali N. Khalilov , İbrahim G. Mamedov , 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}
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 , Tony D. Keene , 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}
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 , Aleksej Jochim , 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 & 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}
Roberta Pinalli , Chiara Massera , J. M. Delgado (Editor)
{"title":"Structural characterization of the supramolecular complex between a tetraquinoxaline-based cavitand and benzonitrile","authors":"Roberta Pinalli , Chiara Massera , J. M. Delgado (Editor)","doi":"10.1107/S205698902400481X","DOIUrl":"10.1107/S205698902400481X","url":null,"abstract":"<div><p>The 2:1 supramolecular complex between a tetraquinoxaline-based cavitand and benzonitrile as a guest has been studied through X-ray diffraction analysis. One of the benzonitrile molecules in engulfed inside the macrocycle.</p></div><div><p>The structural characterization is reported of the supramolecular complex between the tetraquinoxaline-based cavitand 2,8,14,20-tetrahexyl-6,10:12,16:18,22:24,4-<em>O</em>,<em>O</em>′-tetrakis(quinoxaline-2,3-diyl)calix[4]resorcinarene (<strong>QxCav</strong>) with benzonitrile. The complex, of general formula C<sub>84</sub>H<sub>80</sub>N<sub>8</sub>O<sub>8</sub>·2C<sub>7</sub>H<sub>5</sub>N, crystallizes in the space group <em>P</em> <figure><img></figure> with two independent molecules in the asymmetric unit, displaying very similar geometrical parameters. For each complex, one of the benzonitrile molecules is engulfed inside the cavity, while the other is located among the alkyl legs at the lower rim. The host and the guests mainly interact through weak C—H⋯π, C—H⋯N and dispersion interactions. These interactions help to consolidate the formation of supramolecular chains running along the crystallographic <em>b-</em>axis direction.</p></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 6","pages":"Pages 671-676"},"PeriodicalIF":0.0,"publicationDate":"2024-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11151304/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141282689","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}
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 , Pham Van Thong , Nguyen Manh Thang , Pham Ngoc Thao , Luc Van Meervelt , 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}