Layachi Merabet, Zouaoui Setifi, Hela Ferjani, David K. Geiger, Christopher Glidewell, Sibel Demir Kanmazalp, Fatima Setifi, Lakhemici Kaboub
{"title":"Dinuclear Azide-Bridged Copper(II) Polymer With Azido···π(pyridiyl) Interaction: Synthesis, Crystal Structure and Hirshfeld Surface Analysis","authors":"Layachi Merabet, Zouaoui Setifi, Hela Ferjani, David K. Geiger, Christopher Glidewell, Sibel Demir Kanmazalp, Fatima Setifi, Lakhemici Kaboub","doi":"10.1007/s10870-022-00960-2","DOIUrl":"10.1007/s10870-022-00960-2","url":null,"abstract":"<div><p>A new coordination polymer of coper (II), [tetra-azido)tris(2-pyridyl)amine)dicopper(II)] (<b>1</b>) has been synthesized by the reaction between copper(II) nitrate hexahydrate, sodium azide and tris(2-pyridyl)amine under solvothermal conditions in aqueous methanol. The structure has been characterized by single-crystal X-ray diffraction. An analysis of Hirschfeld surfaces was examined. Single-crystal results reveals that the structure contains two independent copper(II) centers, both having approximately square pyramidal coordination: in one, two of the basal sites are occupied by bidentate tris-(2-pyridyl)amine and two azido ligands, with a third azido ligand at the apical site, while the other center is coordinated only by azido ligands. All azido ligands bind two copper centers, forming a coordination polymer chain with two types of Cu2N2 rings and one type of Cu4N4 ring, and in which all azido ligands form a bridge between two metal centers in mode µ-1,1. The Hirshfeld analysis revealed an azido··· (pyridyl) interaction in the coordination polymer chain, as well as weak C-H···N interactions, one of which links the chains into sheets.</p><h3>Index Abstract</h3><p>A new dinuclear copper (II) polymer [tetra-azido(tris(2-pyridyl)amine)dicopper(II)] (1) has been synthesized under solvothermal conditions and been characterized by single-crystal X-ray diffraction and Hirshfeld surface analysis.</p>\u0000 <figure><div><div><div><picture><source><img></source></picture></div><div><p>The molecular structure of (1)</p></div></div></div></figure>\u0000 </div>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"53 2","pages":"209 - 216"},"PeriodicalIF":0.8,"publicationDate":"2022-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4642143","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Md. Mahbub Alam, Fahima Islam, Subas Rajbangshi, Kazi A. Azam, Shishir Ghosh, Vladimir N. Nesterov, Michael G. Richmond, Shariff E. Kabir
{"title":"Synthesis, Structure, and Reactivity of Triosmium Clusters Bearing a Metalated Dialkyl-substituted Pyrazine Ligand","authors":"Md. Mahbub Alam, Fahima Islam, Subas Rajbangshi, Kazi A. Azam, Shishir Ghosh, Vladimir N. Nesterov, Michael G. Richmond, Shariff E. Kabir","doi":"10.1007/s10870-022-00958-w","DOIUrl":"10.1007/s10870-022-00958-w","url":null,"abstract":"<div><p>Reactions of two dialkyl-substituted pyrazine ligands with a triosmium cluster are described. Both 2-ethyl-3-methylpyrazine (C<sub>4</sub>H<sub>2</sub>N<sub>2</sub>MeEt) and 2,5-dimethylpyrazine (C<sub>4</sub>H<sub>2</sub>N<sub>2</sub>Me<sub>2</sub>) react with the labile triosmium cluster [Os<sub>3</sub>(CO)<sub>10</sub>(NCMe)<sub>2</sub>] at 80 °C to afford [HOs<sub>3</sub>(CO)<sub>10</sub>(µ-C<sub>4</sub>HN<sub>2</sub>MeEt)] (<b>1</b>) and [HOs<sub>3</sub>(CO)<sub>10</sub>(µ-C<sub>4</sub>HN<sub>2</sub>Me<sub>2</sub>)] (<b>2</b>), respectively. Clusters <b>1</b> and <b>2</b> are formed <i>via</i> C–H bond activation at the α-carbon of the corresponding pyrazine ligand. Cluster <b>2</b> reacts with PPh<sub>3</sub> at room temperature in the presence of Me<sub>3</sub>NO‧2H<sub>2</sub>O to yield the mono- and diphosphine-substituted clusters [HOs<sub>3</sub>(CO)<sub>9</sub>(PPh<sub>3</sub>)(µ-C<sub>4</sub>HN<sub>2</sub>Me<sub>2</sub>)] (<b>3</b>) and [HOs<sub>3</sub>(CO)<sub>8</sub>(PPh<sub>3</sub>)<sub>2</sub>(µ-C<sub>4</sub>HN<sub>2</sub>Me<sub>2</sub>)] (<b>4</b>), respectively, both of which exist in more than one isomeric form in solution. All new clusters have been characterized using spectroscopic methods together with single-crystal X-ray diffraction studies for <b>1</b>, <b>2</b>, and <b>4</b>. The bonding in these clusters have been investigated by electronic structure calculations.</p><h3>Graphical Abstract</h3><p>Two new triosmium clusters bearing a metalated pyrazine\u0000ligand have been synthesized and structurally characterized.\u0000The reactivity of one of these newly synthesized clusters towards PPh<sub>3</sub> has also been investigated.</p>\u0000 <figure><div><div><div><picture><source><img></source></picture></div></div></div></figure>\u0000 </div>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"53 2","pages":"197 - 208"},"PeriodicalIF":0.8,"publicationDate":"2022-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4231258","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
P. Akhileshwari, K. R. Kiran, M. A. Sridhar, M. P. Sadashiva
{"title":"Crystal Structure Characterization, Interaction Energy Analysis and DFT Studies of 3-(4-Chlorophenyl)-N-phenylquinoxalin-2-amine","authors":"P. Akhileshwari, K. R. Kiran, M. A. Sridhar, M. P. Sadashiva","doi":"10.1007/s10870-022-00959-9","DOIUrl":"10.1007/s10870-022-00959-9","url":null,"abstract":"<p>The title compound is synthesized, and characterized by spectroscopic and XRD methods. The compound crystallizes in the orthorhombic crystal system with the space group <i>P</i>2<sub>1</sub>2<sub>1</sub>2<sub>1</sub>. The structure exhibits C–H⋯N intermolecular interaction and π⋯π interactions. Hirshfeld surface analysis was performed to determine the individual contributions of intermolecular contacts to the crystal packing. The structural and electronic properties of the molecule were investigated by density functional theory method with B3LYP hybrid functional. Intramolecular interactions involved in the crystal structure was analyzed through topological atom-in-molecules analysis and noncovalent interactions method. Molecular electrostatic potential surface shows the chemical reactive regions around the nitrogen and hydrogen atoms.</p><p>The article presents the characterization of synthesized compound by single crystal X-ray diffraction\u0000method. Atom-in-molecules analysis and noncovalent interactions Intramolecular\u0000interactions involved in the crystal structure were analyzed by DFT method.</p>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"53 2","pages":"185 - 196"},"PeriodicalIF":0.8,"publicationDate":"2022-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10870-022-00959-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4636628","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Derek R. Case, William W. Brennessel, Jon Zubieta, Robert P. Doyle
{"title":"Synthesis and Structure of Tetrahedral [Zn(maltol)2Cl2], Exhibiting Monodentate Coordination of Neutral Maltol","authors":"Derek R. Case, William W. Brennessel, Jon Zubieta, Robert P. Doyle","doi":"10.1007/s10870-022-00951-3","DOIUrl":"10.1007/s10870-022-00951-3","url":null,"abstract":"<div><p>Recrystallization of [Zn(malt)<sub>2</sub>(H<sub>2</sub>O)<sub>1.5</sub>] (malt = maltolato(-1), C<sub>6</sub>H<sub>5</sub>O<sub>3</sub>) from a concentrated aqueous solution acidified with HCl to pH 3.0 yielded colorless crystals of [Zn(Hmalt)<sub>2</sub>Cl<sub>2</sub>] (Hmalt = neutral maltol, C<sub>6</sub>H<sub>6</sub>O<sub>3</sub>). The Zn(II) site exhibits distorted tetrahedral coordination through bonding to two chloride ligands and to two neutral maltol ligands, each bonding through the ketonic oxygen. [Zn(Hmalt)<sub>2</sub>Cl<sub>2</sub>] is a unique example of a neutral monodentate coordination by the maltol ligand.</p><h3>Graphical Abstract</h3><p>A view of the tetrahedral [Zn(Hmalt)<sub>2</sub>Cl<sub>2</sub>] (Hmalt = neutral maltol, C<sub>6</sub>H<sub>6</sub>O<sub>3</sub>).</p><figure><div><div><div><picture><source><img></source></picture></div></div></div></figure></div>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"53 1","pages":"177 - 183"},"PeriodicalIF":0.8,"publicationDate":"2022-07-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"5048959","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Daphne S. Cukierman, Carolina B. P. Ligiero, Roberto R. de Avillez, Nicolás A. Rey
{"title":"Crystal Structure and Hirshfeld Analysis of a Poorly Water Soluble Bis(ligand)copper(II) Complex Containing the Metallophore Pyridine-2-Carboxaldehyde 2-Furoyl Hydrazone","authors":"Daphne S. Cukierman, Carolina B. P. Ligiero, Roberto R. de Avillez, Nicolás A. Rey","doi":"10.1007/s10870-022-00955-z","DOIUrl":"10.1007/s10870-022-00955-z","url":null,"abstract":"<p>The crystal structure of a novel bis(ligand)copper(II) complex of the pyridine-2-carboxaldehyde 2-furoyl hydrazone (HPCFur) metallophore is described, altogether with its Hirshfeld surface analysis. The isolated compound crystallizes in the monoclinic system, space group <i>P2</i><sub><i>1</i></sub>/<i>c</i>, with four [Cu(PCFur)<sub>2</sub>] molecules in the asymmetric unit. Symmetry around copper is distorted octahedral. HPCFur coordinates in its deprotonated, iminolate form, which impacts the O1−C7 and N2−N3 distances in both ligand units. The complex exhibits a variety of weak, non-conventional intermolecular hydrogen bonds. Hirshfeld analysis and fingerprint plots indicate that, overall, hydrogen bond interactions are responsible for almost 50% of the crystal 3D arrangement, while nondirectional H···H contacts account for 38.0%. To the best of our knowledge, this is the first description of a copper(II) complex containing this ligand. The structural characterization of this poorly water soluble species contributes to a better understanding of the intricate equilibria that take place in biologically relevant ternary peptide/protein-copper-hydrazone systems.</p>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"53 1","pages":"8 - 15"},"PeriodicalIF":0.8,"publicationDate":"2022-07-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10870-022-00955-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4969740","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis and Characterisation of Iodobismuthates Containing N-substituted 1,4-Diazabicyclo[2.2.2]octane","authors":"Yunhe Cai, Ann M. Chippindale, Paz Vaqueiro","doi":"10.1007/s10870-022-00957-x","DOIUrl":"10.1007/s10870-022-00957-x","url":null,"abstract":"<p>Two new hybrid iodobismuthates, [C<sub>8</sub>H<sub>17</sub>N<sub>2</sub>][C<sub>10</sub>H<sub>22</sub>N<sub>2</sub>][BiI<sub>6</sub>] (<b>1</b>) and [C<sub>6</sub>H<sub>12</sub>N<sub>2</sub>]<sub>0.5</sub>[C<sub>10</sub>H<sub>22</sub>N<sub>2</sub>]<sub>3.5</sub>[Bi<sub>2</sub>I<sub>10</sub>][Bi<sub>2</sub>I<sub>9</sub>] (<b>2</b>), have been prepared by solvothermal synthesis in the presence of 1,4-diazabicyclo[2.2.2]octane (DABCO) and ethanol. Both compounds have been characterized by single-crystal and powder X-ray diffraction, infrared and UV–Vis spectroscopies and thermogravimetric analysis. Structure determination reveals that the crystal structure of <b>1</b> contains mononuclear [BiI<sub>6</sub>]<sup>3−</sup> anions, whilst <b>2</b> contains an unusual combination of dinuclear anions, [Bi<sub>2</sub>I<sub>9</sub>]<sup>3−</sup> and [Bi<sub>2</sub>I<sub>10</sub>]<sup>4−</sup>, consisting of two edge- and two face-sharing [BiI<sub>6</sub>]<sup>3−</sup> octahedra, respectively. Mono- and diethylated derivatives of DABCO, which are formed in situ under solvothermal conditions, act as countercations and are located between the discrete anions. The optical band gaps of <b>1</b> and <b>2</b>, which are 2.29(1) and 2.03(2) eV respectively, are consistent with the red color of these compounds, and are comparable to the band gaps measured for other iodobismuthates containing discrete anions.</p><p>Two new iodobismuthates, [C<sub>8</sub>H<sub>17</sub>N<sub>2</sub>][C<sub>10</sub>H<sub>22</sub>N<sub>2</sub>][BiI<sub>6</sub>] (<b>1</b>) and [C<sub>6</sub>H<sub>12</sub>N<sub>2</sub>]<sub>0.5</sub>[C<sub>10</sub>H<sub>22</sub>N<sub>2</sub>]<sub>3.5</sub>[Bi<sub>2</sub>I<sub>10</sub>][Bi<sub>2</sub>I<sub>9</sub>] (<b>2</b>), have been synthesized under solvothermal conditions, and their crystal structures determined by single-crystal X-ray diffraction.</p>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"53 1","pages":"167 - 176"},"PeriodicalIF":0.8,"publicationDate":"2022-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10870-022-00957-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4893530","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Hydrothermal Preparation, Crystal Structure, Properties of Co(II) Complex Containing Mixed Ligands with 5-(Bis-Carboxymethyl-Amino)-Isophthalic Acid and 1,10-Phenanthroline","authors":"Zhi-Qiang Yi, Wei Huang, Ruo-Lan Liu, Fei Chen, Yu-Tao Hu, Zi-Yang Wang, Xiu-Guang Yi","doi":"10.1007/s10870-022-00956-y","DOIUrl":"10.1007/s10870-022-00956-y","url":null,"abstract":"<div><p>A novel Co(II) complex [Co<sub>4</sub>(HL)<sub>2</sub>Phen<sub>2</sub>(H<sub>2</sub>O)<sub>10</sub>]·20(H<sub>2</sub>O) (HL = 5-(Bis-carboxymethyl-amino)-isophthalic acid; Phen = 1,10-Phenanthroline) was synthesized by hydrothermal methods, and its crystal structure was determined by single-crystal X-ray diffraction. The title complex crystallized in the monoclinic space group C2/c as an isolated tetranuclear structure. The strong π···π stacking, hydrogen bonding and van de Waals attractions produce 3D supramolecular structure. A series of properties of the title complex were tested by solid-state photoluminescence, CIE analysis and solid-state diffuse reflectance. The results show that the title complex is blue light emitter, CIE (0.2172, 0.5581) and has an energy bandwidth of 2.33 eV.</p><h3>Graphical Abstract</h3><p>A novel monoclinic space group <i>C</i>2/<i>c</i> complex of [Co<sub>4</sub>(L)<sub>2</sub>Phen<sub>2</sub>(H<sub>2</sub>O)<sub>10</sub>]·20(H<sub>2</sub>O) (HL = 5-(Bis-carboxymethyl-amino)-isophthalic acid; Phen = 1,10-Phenanthroline) was synthesized by hydrothermal methods, and a series of properties of the complex were tested by solid-state photoluminescence, CIE analysis and solid-state diffuse reflectance, which results show that the title complex is blue light emitter, CIE (0.2172, 0.5581) and has an energy bandwidth of 2.33 eV.</p>\u0000 <figure><div><div><div><picture><source><img></source></picture></div></div></div></figure>\u0000 </div>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"53 1","pages":"159 - 166"},"PeriodicalIF":0.8,"publicationDate":"2022-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4212368","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Solvothermal Synthesis and Characterization of One-Dimensional [Mn(en)3]CdSb2Se5","authors":"Lirong Zhang, Feiyan Qi, Muge Shele, E. Namila, Liming Qi, Menghe Baiyin","doi":"10.1007/s10870-022-00953-1","DOIUrl":"10.1007/s10870-022-00953-1","url":null,"abstract":"<div><p>One quaternary selenidoantimonate of [Mn(en)<sub>3</sub>]CdSb<sub>2</sub>Se<sub>5</sub> (<b>1</b>) (en = ethylenediamine) was prepared under 1,2-propanediamine condition by mild solvothermal method. Single-crystal X-ray diffraction analysis reveals that compound <b>1</b> crystallizes in the monoclinic space group <i>C</i>2/c. Its structure consists of infinite 1D [CdSb<sub>2</sub>Se<sub>5</sub>]<sub>n</sub><sup>2n−</sup> anionic chains and [Mn(en)<sub>3</sub>]<sup>2+</sup> cations. Meanwhile, “Z” shaped eight-membered [Cd<sub>2</sub>Sb<sub>2</sub>Se<sub>4</sub>] and six-membered [CdSb<sub>2</sub>Se<sub>3</sub>] rings are alternately found. As estimated from UV–Vis absorption spectrum, the band gap of <b>1</b> is 2.58 eV. Compound <b>1</b> also showed rapid response and excellent reproducibility based on photoelectric test. In addition, the magnetic and other properties of <b>1</b> were studied.</p><h3>Graphical Abstract</h3><p>The manuscript describes the synthesis, crystal structure, single-crystal X-ray diffraction, elemental analysis, photoelectric response, thermogravimetric analysis, magnetic properties, infrared spectroscopy and UV-Vis diffuse reflectance spectroscopy of [Mn(en)<sub>3</sub>]CdSb<sub>2</sub>Se<sub>5</sub>. The photoelectric response of compound <b>1</b> was explored, and a highly repetitive and stable photocurrent curve was found, indicating that <b>1</b> is a typical p-type semiconductor. In addition, the magnetism of compound <b>1</b> was also studied, which showed that <b>1</b> had antiferromagnetic behavior.</p><figure><div><div><div><picture><source><img></source></picture></div></div></div></figure></div>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"53 1","pages":"145 - 151"},"PeriodicalIF":0.8,"publicationDate":"2022-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4164753","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A. V. Knyazev, N. V. Somov, E. V. Gusarova, V. N. Serezhkin, A. S. Shipilova, S. S. Knyazeva, A. V. Savchenkov
{"title":"Structural Studies of Solvates of Cortisone Acetate","authors":"A. V. Knyazev, N. V. Somov, E. V. Gusarova, V. N. Serezhkin, A. S. Shipilova, S. S. Knyazeva, A. V. Savchenkov","doi":"10.1007/s10870-022-00954-0","DOIUrl":"10.1007/s10870-022-00954-0","url":null,"abstract":"<div><p>The crystal structures of C<sub>23</sub>H<sub>30</sub>O<sub>6</sub>·C<sub>2</sub>H<sub>5</sub>OH and C<sub>23</sub>H<sub>30</sub>O<sub>6</sub>·C<sub>3</sub>H<sub>7</sub>OH were determined by X-ray diffraction analysis at temperatures 100 K (space group P2<sub>1</sub>, <i>Z</i> = 2): <i>a</i> = 9.6973(4), <i>b</i> = 7.4950(3), <i>c</i> = 16.1828(7) Å, <i>β</i> = 93.559(4)°, <i>R</i> = 0.0698 (C<sub>23</sub>H<sub>30</sub>O<sub>6</sub>·C<sub>2</sub>H<sub>5</sub>OH); <i>a</i> = 9.8941(3), <i>b</i> = 7.3833(2), <i>c</i> = 16.5816(5) Å, <i>β</i> = 90.110(3)°, <i>R</i> = 0.0318 (C<sub>23</sub>H<sub>30</sub>O<sub>6</sub>·C<sub>3</sub>H<sub>7</sub>OH). The method molecular Voronoi–Dirichlet polyhedra were also used to analyze non-bonded interactions in the structures of solvate crystals. The analysis showed that the studied solvates are isostructural. There is a slight increase in the fraction of intermolecular H/H contacts for isopropanol solvate.</p><h3>Graphical Abstract</h3><p>The crystal structures of C<sub>23</sub>H<sub>30</sub>O<sub>6</sub>·C<sub>2</sub>H<sub>5</sub>OH and C<sub>23</sub>H<sub>30</sub>O<sub>6</sub>·C<sub>3</sub>H<sub>7</sub>OH were determined by X-ray diffraction analysis at temperatures 100 K and the method molecular Voronoi–Dirichlet polyhedra were also used to analyze non-bonded interactions in the structures.</p>\u0000<figure><div><div><div><picture><source><img></source></picture></div></div></div></figure><p>\u0000Arrangement of molecules in the unit cell of solvates of cortisone acetate (<i>a</i>—ethanol solvate; <i>b</i>—isopropanol solvate).</p></div>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"53 1","pages":"152 - 158"},"PeriodicalIF":0.8,"publicationDate":"2022-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10870-022-00954-0.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"4168641","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Shao-Liang Zhang, Bao-Wei Shen, Xiao-Dong Song, Yan-Lan Wang, Shan-Shan Li
{"title":"Ni-Na Coordination Polymer Bridged by Dicyanamide: Synthesis, Structures, Spectra and Thermal Stability","authors":"Shao-Liang Zhang, Bao-Wei Shen, Xiao-Dong Song, Yan-Lan Wang, Shan-Shan Li","doi":"10.1007/s10870-022-00952-2","DOIUrl":"10.1007/s10870-022-00952-2","url":null,"abstract":"<div><p>One Ni(II)-Na(I) complex namely {[Ni<sup>II</sup>-L-Na<sup>I</sup>(dca)]<sub>2</sub>}<sub>n</sub> [H<sub>2</sub>L = 1,2-ethanediylbis(2-iminomethylene-6-methoxy-phenol)] was synthesized under mild conditions at room temperature and characterized by elemental analysis, infrared spectroscopy, X-ray diffraction and thermogravimetric analysis. Single crystal X-ray diffraction analyses show that Ni(II) centers are in four-coordinate <i>D</i><sub>4h</sub> geometry and Na(I) centers are in a six-coordinate slightly distorted pentagonal pyramidal <i>C</i><sub>5v</sub> geometry in the complex. The basic structural components of the complex are the [Ni<sup>II</sup>-L-Na<sup>I</sup>] units, which are further connected by the dicyanamide through <i>μ</i><sub><i>1,5</i></sub> mode between the Na centers to form 1D chain structures. Thermogravimetric analysis indicate that complex <b>1</b> shows good thermal stability.</p><h3>Graphical Abstract</h3>\u0000 <figure><div><div><div><picture><source><img></source></picture></div></div></div></figure>\u0000 </div>","PeriodicalId":615,"journal":{"name":"Journal of Chemical Crystallography","volume":"53 1","pages":"138 - 144"},"PeriodicalIF":0.8,"publicationDate":"2022-06-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10870-022-00952-2.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"5118174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}