Trevor J. Gienau , Malachi Clay , William W. Brennessel , Carly R. Reed
{"title":"(2,9-Dimethyl-1,10-phenanthroline)bis[2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate and (2,9-dimethyl-1,10-phenanthroline)bis[5-methyl-2-(pyridin-2-yl)phenyl]iridium(III) hexafluorophosphate–diethyl ether–acetonitrile (1/0.61/0.78)","authors":"Trevor J. Gienau , Malachi Clay , William W. Brennessel , Carly R. Reed","doi":"10.1107/S2056989024012039","DOIUrl":"10.1107/S2056989024012039","url":null,"abstract":"<div><div>The title compounds exhibit Ir—C and Ir—N bond lengths typical of cyclometallated iridium compounds with phenylpyridine ligands. Methylation of the phenanthroline ligand leads to longer Ir—N bond lengths compared to the unmethylated analog.</div></div><div><div>The title compounds, [Ir(C<sub>14</sub>H<sub>12</sub>N<sub>2</sub>)(C<sub>11</sub>H<sub>8</sub>N)<sub>2</sub>]PF<sub>6</sub> (<strong>1</strong>) and [Ir(C<sub>14</sub>H<sub>12</sub>N<sub>2</sub>)(C<sub>12</sub>H<sub>10</sub>N)<sub>2</sub>]PF<sub>6</sub>·0.61C<sub>2</sub>H<sub>10</sub>O·0.78CH<sub>3</sub>CN (<strong>2</strong>), crystallize in the space groups <em>Pbca</em> and <em>P</em>1, respectively, each structure containing one monocationic Ir complex and one PF<sub>6</sub><sup>−</sup> anion in the asymmetric unit. The anion and solvent in compound <strong>2</strong> are disordered. The Ir—N(phenanthroline) bond lengths of <em>ca</em>. 2.21 Å indicate a greater steric effect of the 2,9-dimethyl-1,10-phenanthroline ligand compared to 1,10-phenanthroline. Both structures show offset parallel intermolecular π–π interactions between the pyridine rings of the phenanthroline ligands, and that of <strong>1</strong> also exhibits similar interactions between the phenyl and pyridine rings of the phenylpyridine ligands.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 2","pages":"Pages 127-131"},"PeriodicalIF":0.5,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11799788/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143381442","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}
Toshiki Sakami , Hikaru Watanabe , Takuma Sato , Yasuhiro Okuda , Kan Wakamatsu , Haruo Akashi , Akihiro Orita
{"title":"Synthesis and crystal structure of 5,10-bis(phenylsulfonyl)tetrahydrodibenzopentalene","authors":"Toshiki Sakami , Hikaru Watanabe , Takuma Sato , Yasuhiro Okuda , Kan Wakamatsu , Haruo Akashi , Akihiro Orita","doi":"10.1107/S205698902500060X","DOIUrl":"10.1107/S205698902500060X","url":null,"abstract":"<div><div>The structure of a curved 6–5–5–6 fused-ring system, with two benzene rings attached at both termini and a pair of phenylsulfonyl groups bonded to the two five-membered rings, is described.</div></div><div><div>5,10-Bis(phenylsulfonyl)tetrahydrodibenzopentalene, C<sub>28</sub>H<sub>22</sub>O<sub>4</sub>S<sub>2</sub>, <strong>1</strong>, was successfully synthesized <em>via</em> the photocatalyst-promoted hydrogenative transannulation of disulfonylcyclooctatetraene, <strong>2</strong>, using perylene as the photocatalyst in the presence of (<em>i</em>-Pr)<sub>2</sub>NEt under UV-light irradiation (398 nm, 30 W). In this reaction, the cyclooctatetraene moiety of <strong>2</strong> underwent hydrogenative transannulation, yielding <strong>1</strong>. Single-crystal X-ray analysis revealed that both enantiomers of <strong>1</strong> are arranged alternately along the <em>a</em> axis of the unit cell. The structure features a wide V-shaped motif consisting of 6–5–5–6 fused rings, with a dihedral angle of approximately 97.2° between the planes of the terminal phenylene rings. Additionally, a pair of phenylsulfonyl groups were observed at the <em>exo</em> positions relative to the V-shaped array.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 2","pages":"Pages 172-176"},"PeriodicalIF":0.5,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11799786/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143381546","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}
{"title":"Crystal structure and Hirshfeld surface analysis of the chalcone derivative (2E)-3-[4-(diphenylamino)phenyl]-1-[4-(prop-1-yn-2-yloxy)phenyl]prop-2-en-1-one","authors":"Sundarasamy Madhan , M. NizamMohideen , Vijayan Viswanathan , Devadasan Velmurugan","doi":"10.1107/S2056989024011721","DOIUrl":"10.1107/S2056989024011721","url":null,"abstract":"<div><div>The molecule adopts an s-<em>cis</em> conformation with respect to the C=O and C—C bonds of the chalcone bridge.</div></div><div><div>In the crystal structure of the title chalcone derivative, C<sub>30</sub>H<sub>23</sub>NO<sub>2</sub>, the molecule adopts an s-<em>cis</em> conformation with respect to the C=O and C=C bonds. The triphenylamine moiety has a propeller-type shape, with dihedral angles between the mean planes of pairs of phenyl rings of 72.1 (6), 69.7 (1) and 65.6 (6)°. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, forming chains extending parallel to [010]. In addition, weak C—H⋯π interactions consolidate the crystal packing. One of the phenyl rings of the triphenylamine moiety is disordered over two sets of sites.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"Pages 15-19"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701778/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942496","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}
{"title":"Crystal structure of di-μ-acetato-κ4O:O′-bis{(acetato-κ2O,O′)tetraaqua[1-(pyridin-2-ylmethylidene-κN)-2-(pyridin-2-yl-κN)hydrazine-κN1]lanthanum(III)} dinitrate hemihydrate","authors":"Mbossé Ndiaye-Gueye , Bocar Traoré , Ibrahima Elhadji Thiam , Ousmane Diouf , Emmanuel Wenger , Abdou Salam Sall , Claude Lecomte , Mohamed Gaye","doi":"10.1107/S2056989024012349","DOIUrl":"10.1107/S2056989024012349","url":null,"abstract":"<div><div>In the title Schiff base binuclear lanthanum(III) complex, the two metal ions have the same environment and the La<sup>III</sup> ion is coordinated by three soft nitrogen atoms from the Schiff base ligand, four hard oxygen atoms from carboxylate co-ligands and two water oxygen atoms. Each La<sup>III</sup> ion is nine coordinate and its environment is best described as a tricapped trigonal–prismatic geometry.</div></div><div><div>In the binuclear title complex, [La<sub>2</sub>(C<sub>2</sub>H<sub>3</sub>O<sub>2</sub>)<sub>4</sub>(C<sub>11</sub>H<sub>10</sub>N<sub>4</sub>)(H<sub>2</sub>O)<sub>4</sub>](NO<sub>3</sub>)<sub>2</sub>·0.5H<sub>2</sub>O, the two lanthanum ions are nine coordinate in a distorted trigonal–prismatic geometry. Each La<sup>III</sup> ion is bonded to three N atoms of the Schiff base, 1-(pyridin-2-yl)-2-(pyridin-2-ylmethylene)hydrazine and is coordinated by one acetate group, which acts in <em>η</em><sup>2</sup>-bidentate mode and two acetate groups that act in <em>μ</em><sub>2</sub>-mode between the two La<sup>III</sup> ions. Two <em>η</em><sup>1</sup>-water molecules complete the coordination sphere. All bond lengths in the coordination environment of the La<sup>III</sup> ion are slightly larger than those observed in the isostructural Nd<sup>III</sup> and Sm<sup>III</sup> complexes. The La<sup>III</sup>⋯La<sup>III</sup> distance is 4.6696 (6) Å. In the crystal, extensive O—H⋯O hydrogen-bonding interactions involving the coordinated water molecules and the non-coordinating nitrate anions, as well as the oxygen atoms of the acetate groups, generate an overall three-dimensional supramolecular network.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"Pages 85-89"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701776/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942507","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}
{"title":"Crystal structure of luliconazole","authors":"Anna Ben , Lilianna Chęcińska","doi":"10.1107/S2056989024011812","DOIUrl":"10.1107/S2056989024011812","url":null,"abstract":"<div><div>The crystal structure of luliconazole (LCZ) has been determined. The dithiolane ring adopts an envelope conformation. In the crystal, two intermolecular C—H⋯N hydrogen bonds are observed.</div></div><div><div>The crystal structure of luliconazole {LCZ; C<sub>14</sub>H<sub>9</sub>Cl<sub>2</sub>N<sub>3</sub>S<sub>2</sub>; systematic name: (<em>E</em>)-[(4<em>R</em>)-4-(2,4-dichlorophenyl)-1,3-dithiolan-2-ylidene](1<em>H</em>-imidazol-1-yl)acetonitrile} is reported. In the molecule of the title compound, the dithiolane ring adopts an envelope conformation, while the dichlorophenyl ring exhibits disorder. In the crystal packing of luliconazole, only two intermolecular C–H⋯N hydrogen bonds are observed. Hirshfeld surface analysis reveals that the most dominant contacts are H⋯N/N⋯H, H⋯Cl/Cl⋯H, H⋯H and C⋯H/H⋯C.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"Pages 24-28"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701779/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942510","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}
{"title":"Synthesis, crystal structure and thermal properties of poly[di-μ-bromido-(μ-2,5-dimethylpyrazine)cadmium(II)]","authors":"Christian Näther","doi":"10.1107/S2056989024011824","DOIUrl":"10.1107/S2056989024011824","url":null,"abstract":"<div><div>In the title compound, the cadmium cations are octahedrally coordinated by four bromide anions and two 2–5-dimethylpyrazine ligands and linked into chains <em>via</em> pairs of μ-1,1-bridging Br<sup>−</sup> anions that are further connected into layers by the bridging 2,5-dimethylpyrazine coligands.</div></div><div><div>The title compound, [CdBr<sub>2</sub>(C<sub>6</sub>H<sub>8</sub>N<sub>2</sub>)]<sub><em>n</em></sub>, was prepared by the reaction of cadmium bromide with 2,5-dimethylpyrazine in water. Its asymmetric unit consists of one Cd cation and one 2,5-dimethylpyrazine ligand that are located on a crystallographic mirror plane as well as one bromide anion that occupies a general position. The Cd cations are sixfold coordinated by four bromide anions and two 2,5-dimethylpyrazine ligands within slightly distorted <em>trans</em>-CdBr<sub>4</sub>N<sub>2</sub> octahedra. The cations are linked into [100] chains <em>via</em> pairs of bridging bromide anions that are further connected into (001) layers by the bridging 2,5-dimethylpyrazine ligands. Powder X-ray diffraction (PXRD) shows that a pure crystalline phase has been obtained. Thermogravimetry coupled to differential thermoanalysis (TG-TDA) reveal that the 2,5-dimethylpyrazine ligands are removed in two separate steps leading to the formation of a compound with the composition (CdBr<sub>2</sub>)<sub>2</sub>(2,5-dimethylpyrazine) that decomposes into CdBr<sub>2</sub> upon further heating. PXRD measurements of the residue obtained after the first mass loss show that a new crystalline phase has been formed.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"Pages 29-33"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701770/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942528","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}
{"title":"Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κO}cobalt(II)","authors":"Ekaterina Kinshakova , Batirbay Torambetov , Simranjeet Kaur , Jamshid Ashurov , Shakhnoza Kadirova","doi":"10.1107/S2056989024011939","DOIUrl":"10.1107/S2056989024011939","url":null,"abstract":"<div><div>The molecular and crystal structure of the tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato}cobalt(II) complex were studied and Hirshfeld surfaces and fingerprint plots were generated to investigate the various intermolecular interactions.</div></div><div><div>A novel coordination compound, [Co(<em>L</em>)<sub>2</sub>(H<sub>2</sub>O)<sub>4</sub>], was synthesized from aqueous solutions of Co(NO<sub>3</sub>)<sub>2</sub> and the ligand 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid (H<em>L</em>, C<sub>5</sub>H<sub>6</sub>N<sub>2</sub>O<sub>2</sub>S<sub>2</sub>). In the monoclinic crystals (space group <em>P</em>2<sub>1</sub>/<em>c</em>), the cobalt(II) ion is located about a centre of symmetry and is octahedrally coordinated by two <em>L<sup>−</sup></em> anions in a monodentate fashion through carboxyl O atoms and by four water molecules. A relatively strong hydrogen bond between one of the water molecules and the non-coordinating carboxylate O atom consolidates the conformation. In the crystal, intermolecular hydrogen bonds lead to the formation of a complex tri-periodic structure. Hirshfeld surface analysis revealed that 30.1% of the intermolecular interactions are from H⋯H contacts and 20.8% are from N⋯H/H⋯N contacts. DFT calculations were performed to assess the stability and chemical reactivity of the compound by determining the energy differences between the HOMO and LUMO.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"Pages 63-68"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701765/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942531","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}
Andrew J. Peloquin , Gary J. Balaich , Abby R. Jennings
{"title":"Crystal structure and Hirshfeld surface analysis of 1,3,3,4,4,5,5-heptafluoro-2-(3-[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]-2-{[(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxy]methyl}-2-methylpropoxy)cyclopentene","authors":"Andrew J. Peloquin , Gary J. Balaich , Abby R. Jennings","doi":"10.1107/S2056989024011484","DOIUrl":"10.1107/S2056989024011484","url":null,"abstract":"<div><div>In the title compound, a central <em>sp</em><sup>3</sup>-hybridized carbon atom is decorated with three heptafluoro-2-methyloxy(cyclopent-1-ene) arms and a methyl group. The primary packing is determined by C—F⋯F—C interactions, forming [001] chains, which are consolidated <em>via</em> weaker C—F⋯F—C and C—H⋯F—C contacts.</div></div><div><div>In the title compound, C<sub>20</sub>H<sub>9</sub>F<sub>21</sub>O<sub>3</sub>, a central <em>sp</em><sup>3</sup>-hybridized carbon atom is decorated with three heptafluoro-2-methyloxy(cyclopent-1-ene) arms and a methyl group. The primary packing is determined by C—F⋯F—C interactions, forming [001] chains, which are consolidated <em>via</em> weaker C—F⋯F—C and C—H⋯F—C contacts. A Hirshfeld surface analysis was conducted to aid in the visualization of these various influences on the packing: this revealed that the largest contribution to the surface contacts arises from F⋯F interactions (53.5%), followed by F⋯H/H⋯F (34.5%) and F⋯C/C⋯F (7.1%).</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"Pages 11-14"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701774/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942471","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}
{"title":"Crystal structure of p-xylene@silicalite-1","authors":"In-Chul Hwang","doi":"10.1107/S2056989024011642","DOIUrl":"10.1107/S2056989024011642","url":null,"abstract":"<div><div>In order to observe the maximum adsorption amount and arrangement state of <em>p</em>-xylene molecules in a microporous single-crystal of silicalite-1 (SL-1), single-crystal X-ray diffraction analysis was performed.</div></div><div><div>The crystal structure of a highly loaded complex of silicalite-1 (SL-1) with eight molecules of <em>p</em>-xylene per unit cell has been solved by single-crystal X-ray diffraction. In the crystal, four symmetrical Si<sub>24</sub>O<sub>48</sub>·2C<sub>8</sub>H<sub>10</sub> subunits per unit cell are observed. The <em>p</em>-xylene molecules sit at two different positions within the SL-1 channels. The first molecule is located at the intersection of the sinusoidal and straight channels, while the second guest molecule is positioned in the center of the double ten-membered ring (10-MR) of the sinusoidal channel.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"Pages 6-10"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701763/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942503","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}
{"title":"Binary solvent participation in crystals of a multi-aromatic 1,2,3-triazole","authors":"Jonathan Filley","doi":"10.1107/S2056989024011915","DOIUrl":"10.1107/S2056989024011915","url":null,"abstract":"<div><div>Crystals of a multi-aromatic substituted 1,2,3-triazole have an extensive hydrogen-bonding network with two water and two acetonitrile molecules participating in the structure. The compound is a dimer serving as a starting material for higher oligomers and molecules featuring extensive functionality.</div></div><div><div>The X-ray crystal structure of a multi-aromatic substituted 1,2,3-triazole is presented, which shows an extensive three-dimensional hydrogen-bonding network involving two water molecules and two acetonitrile molecules. The structure of 4-{[(4-{[1-({[(3,4-dimethoxyphenyl)methyl](3-acetamidophenyl)carbamoyl}methyl)-1<em>H</em>-1,2,3-triazol-4-yl]methoxy}-3-methoxyphenyl)methyl]amino}benzoic acid–acetonitrile–water (1/2/2), C<sub>37</sub>H<sub>38</sub>N<sub>6</sub>O<sub>8</sub>·2C<sub>2</sub>H<sub>3</sub>N·2H<sub>2</sub>O, features amine-linked aromatic groups that have a variety functionality including a carboxylic acid, an acetamido group, and methoxy ethers. All <em>X</em>—H groups, and seven out of ten heteroatoms with available lone-pair electrons, participate in hydrogen bonding, with the aid of dimer-bridging water molecules and acetonitrile molecules whose methyl groups form close contacts with oxygen atoms. The triazole itself is a dimer made using click chemistry from readily available and inexpensive starting materials and is a precursor to larger oligomers, as well as to compounds with a wide array of readily manipulated functionality.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 1","pages":"Pages 38-41"},"PeriodicalIF":0.5,"publicationDate":"2025-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701773/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142942468","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}