Acta Crystallographica Section E: Crystallographic Communications最新文献

{"title":"Synthesis, crystal structure and absolute configuration of (3aS,4R,5S,7aR)-7-(but-3-en-1-yn-1-yl)-2,2-dimethyl-3a,4,5,7a-tetra­hydro-2H-1,3-benzodioxole-4,5-diol","authors":"Alejandro Peixoto de Abreu Lima ,&nbsp;Enrique Pandolfi ,&nbsp;Valeria Schapiro ,&nbsp;Leopoldo Suescun","doi":"10.1107/S2056989024009733","DOIUrl":"10.1107/S2056989024009733","url":null,"abstract":"<div><div>The crystal structure of the title compound was solved to confirm the relative absolute configuration of the chiral centers.</div></div><div><div>The absolute configuration of the title compound, C₁₃H₁₆O₄, determined as 1<em>S</em>,2<em>R</em>,3<em>S</em>,4<em>R</em> based on the synthetic pathway, was confirmed by single-crystal X-ray diffraction. The mol­ecule is a relevant inter­mediary for the synthesis of speciosins, ep­oxy­quinoides or their analogues. The mol­ecule contains fused five- and six-membered rings with two free hydroxyl groups and two protected as an iso­propyl­idenedioxo ring. The packing is directed by hydrogen bonds that define double planes of mol­ecules laying along the <em>ab</em> plane and van der Waals inter­actions between aliphatic chains that point outwards of the planes.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 11","pages":"Pages 1165-1169"},"PeriodicalIF":0.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660465/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875888","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 and structure of trans-2,5-di­methyl­piperazine-1,4-diium di­hydrogen diphosphate","authors":"Houda Mrad ,&nbsp;Adel Elboulali ,&nbsp;Benoît Baptiste ,&nbsp;Samah Akriche","doi":"10.1107/S2056989024010132","DOIUrl":"10.1107/S2056989024010132","url":null,"abstract":"<div><div>In the title salt, the complete cation and anion are generated by crystallographic inversion and twofold symmetry, respectively. In the crystal, the di­hydrogen diphosphate anions are linked by O—H⋯O hydrogen bonds, generating (001) layers. The organic cations bond to the inorganic layers by way of N—H⋯O and C—H⋯O hydrogen bonds.</div></div><div><div>In the title salt, C₆H₁₆N₂²⁺ ·H₂P₂O₇²⁻, the complete dication is generated by a crystallographic centre of symmetry with the methyl groups in equatorial orientations. The complete dianion is generated by a crystallographic twofold axis with the central O atom lying on the axis: the P—O—P bond angle is 135.50 (12)°. In the crystal, the di­hydrogen diphosphate anions are linked by O—H⋯O hydrogen bonds, generating (001) layers. The organic cations bond to the inorganic layers by way of N—H⋯O and C—H⋯O hydrogen bonds. A Hirshfeld surface analysis shows that the most important contributions for the crystal packing are from O⋯H/H⋯O (60.5%) and H⋯H (39.4%) contacts.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 11","pages":"Pages 1202-1205"},"PeriodicalIF":0.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660472/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875885","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 Hirshfeld surface analysis of 2-{4-[(2-chloro­phen­yl)meth­yl]-3-methyl-6-oxopyridazin-1-yl}-N-phenyl­acetamide","authors":"Hamza Assila ,&nbsp;Younes Zaoui ,&nbsp;Camille Kalonji Mubengayi ,&nbsp;Walid Guerrab ,&nbsp;Abdulsalam Alsubari ,&nbsp;Joel T. Mague ,&nbsp;Youssef Ramli ,&nbsp;Mhammed Ansar","doi":"10.1107/S2056989024010296","DOIUrl":"10.1107/S2056989024010296","url":null,"abstract":"<div><div>The phenyl­acetamide moiety is nearly planar due to a weak, intra­molecular C—H⋯O hydrogen bond and its nitro­gen lone pair appears involved in N→C π bonding. In the crystal, N—H⋯O hydrogen bonds and π-stacking inter­actions between pyridazine and phenyl rings form helical chains of mol­ecules, which are linked by C—H⋯O hydrogen bonds and C—H⋯π(ring) inter­actions.</div></div><div><div>In the title mol­ecule, C₂₀H₁₈ClN₃O₂, the 2-chloro­phenyl group is disordered to a small extent [occupancies 0.875 (2)/0.125 (2)]. The phenyl­acetamide moiety is nearly planar due to a weak, intra­molecular C—H⋯O hydrogen bond. In the crystal, N—H⋯O hydrogen bonds and π-stacking inter­actions between pyridazine and phenyl rings form helical chains of mol­ecules in the <em>b</em>-axis direction, which are linked by C—H⋯O hydrogen bonds and C—H⋯π(ring) inter­actions. A Hirshfeld surface analysis was performed, which showed that H⋯H, C⋯H/H⋯C and O⋯H/H⋯O inter­actions to dominate the inter­molecular contacts in the crystal.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 11","pages":"Pages 1221-1225"},"PeriodicalIF":0.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660474/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875894","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 structures of two different multi-component crystals consisting of 1-(3,4-di­meth­oxy­benz­yl)-6,7-di­meth­oxy­iso­quinoline and fumaric acid","authors":"Hiroki Shibata ,&nbsp;Aya Sakon ,&nbsp;Noriyuki Takata ,&nbsp;Hiroshi Takiyama","doi":"10.1107/S2056989024009794","DOIUrl":"10.1107/S2056989024009794","url":null,"abstract":"<div><div>Two different multi-component crystals consisting of papaverine [1-(3,4-di­meth­oxy­benz­yl)-6,7-di­meth­oxy­iso­quinoline, C₂₀H₂₁NO₄] and fumaric acid [C₄H₄O₄] were obtained.</div></div><div><div>Two different multi-component crystals consisting of papaverine [1-(3,4-di­meth­oxy­benz­yl)-6,7-di­meth­oxy­iso­quinoline, C₂₀H₂₁NO₄] and fumaric acid [C₄H₄O₄] were obtained. Single-crystal X-ray structure analysis revealed that one, C₂₀H₂₁NO₄·1.5C₄H₄O₄ (I), is a salt co-crystal composed of salt-forming and non-salt-forming mol­ecules, and the other, C₂₀H₂₁NO₄·0.5C₄H₄O₄ (II), is a salt–co-crystal inter­mediate (<em>i.e.</em>, in an inter­mediate state between a salt and a co-crystal). In this study, one state (crystal structure at 100 K) within the salt–co-crystal continuum is defined as the ‘inter­mediate’.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 11","pages":"Pages 1146-1150"},"PeriodicalIF":0.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660478/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875854","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 and crystal structure of 1H-1,2,4-triazole-3,5-di­amine monohydrate","authors":"Kazuki Inoue ,&nbsp;Shun Nakami ,&nbsp;Mieko Kumasaki ,&nbsp;Shinya Matsumoto","doi":"10.1107/S2056989024009265","DOIUrl":"10.1107/S2056989024009265","url":null,"abstract":"<div><div>1<em>H</em>-1,2,4-Triazole-3,5-di­amine monohydrate was synthesized and its crystal structure was determined. Two 3,5-di­amino-1,2,4-triazole mol­ecules form mutual hydrogen bonds.</div></div><div><div>The title compound, a hydrate of 3,5-di­amino-1,2,4-triazole (DATA), C₂H₅N₅·H₂O, was synthesized in the presence of sodium perchlorate. The evaporation of H₂O from its aqueous solution resulted in anhydrous DATA, suggesting that sodium perchlorate was required to precipitate the DATA hydrate. The DATA hydrate crystallizes in the <em>P</em>2₁/<em>c</em> space group in the form of needle-shaped crystals with one DATA and one water mol­ecule in the asymmetric unit. The water mol­ecules form a three-dimensional network in the crystal structure. Hirshfeld surface analysis revealed that 8.5% of the inter­molecular inter­actions originate from H⋯O contacts derived from the incorporation of the water mol­ecules.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 11","pages":"Pages 1161-1164"},"PeriodicalIF":0.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660476/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875877","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 catena-poly[[di­aqua­di­imida­zole­cobalt(II)]-μ2-2,3,5,6-tetra­bromo­benzene-1,4-di­carboxyl­ato]","authors":"Hitoshi Kumagai ,&nbsp;Satoshi Kawata ,&nbsp;Nobuhiro Ogihara","doi":"10.1107/S2056989024009915","DOIUrl":"10.1107/S2056989024009915","url":null,"abstract":"<div><div>In [Co(Br₄bdc)(im)₂(H₂O)₂], the Co^II ions are bridged by the Br₄bdc²⁻ ligand, forming one-dimensional chains, which are inter­connected by inter­chain N–H⋯O and O–H⋯O hydrogen-bonding and π–π inter­actions, yielding a three-dimensional network.</div></div><div><div>The asymmetric unit of the title compound, [Co(C₈Br₄O₄)(C₃H₄N₂)₂(H₂O)₂]_<em>n</em> or [Co(Br₄bdc)(im)₂(H₂O)₂]_<em>n</em>, comprises half of Co^II ion, tetra­bromo­benzene­dicarboxylate (Br₄bdc²⁻), imidazole (im) and a water mol­ecule. The Co^II ion exhibits a six-coordinated octa­hedral geometry with two oxygen atoms of the Br₄bdc²⁻ ligand, two oxygen atoms of the water mol­ecules, and two nitro­gen atoms of the im ligands. The carboxyl­ate group is nearly perpendicular to the benzene ring and shows monodentate coordination to the Co^II ion. The Co^II ions are bridged by the Br₄bdc²⁻ ligand, forming a one-dimensional chain. The carboxyl­ate group acts as an inter­molecular hydrogen-bond acceptor toward the im ligand and a coordinated water mol­ecule. The chains are connected by inter­chain N—H⋯O(carboxyl­ate) and O—H(water)⋯O(carboxyl­ate) hydrogen-bonding inter­actions and are not arranged in parallel but cross each other <em>via</em> inter­chain hydrogen bonding and π–π inter­actions, yielding a three-dimensional network.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 11","pages":"Pages 1217-1220"},"PeriodicalIF":0.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660475/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875773","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 bis­{5-(4-chloro­phen­yl)-3-[6-(1H-pyrazol-1-yl)pyridin-2-yl]-1H-1,2,4-triazol-1-ido}nickel(II) methanol disolvate","authors":"Kateryna Znovjyak ,&nbsp;Sergiu Shova ,&nbsp;Dmitriy M. Panov ,&nbsp;Nataliia S. Kariaka ,&nbsp;Igor O. Fritsky ,&nbsp;Sergey O. Malinkin ,&nbsp;Maksym Seredyuk","doi":"10.1107/S2056989024010338","DOIUrl":"10.1107/S2056989024010338","url":null,"abstract":"<div><div>The title compound, a neutral bis­{5-(4-chloro­phen­yl)-3-[6-(1<em>H</em>-pyrazol-1-yl)pyridin-2-yl]-1<em>H</em>-1,2,4-triazol-1-ido}nickel(II) methanol disolvate has a distorted pseudo­octa­hedral coordination environment of the metal ion. As a result of the tapered shape and polar nature, the mol­ecules stack in one-dimensional columns that are bound by weak hydrogen bonds into layers, which are arranged in a three-dimensional structure without inter­layer inter­actions below van der Waals radii.</div></div><div><div>The unit cell of the title compound, [Ni(C₁₆H₁₀ClN₆)₂]·2CH₃OH, consists of a neutral complex and two methanol mol­ecules. In the complex, the two tridentate 2-(3-(4-chloro­phen­yl)-1<em>H</em>-1,2,4-triazol-5-yl)-6-(1<em>H</em>-pyrazol-1-yl)pyridine ligands coordinate to the central Ni^II ion through the N atoms of the pyrazole, pyridine and triazole groups, forming a pseudo­octa­hedral coordination sphere. Neighbouring tapered mol­ecules are linked through weak C—H(pz)⋯π(ph) inter­actions into monoperiodic chains, which are further linked through weak C—H⋯N/C inter­actions into diperiodic layers. The inter­molecular contacts were qu­anti­fied using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing the relative contributions of the contacts to the crystal packing to be H⋯H 32.8%, C⋯H/H⋯C 27.5%, N⋯H/H⋯N 15.1%, and Cl⋯H/H⋯Cl 14.0%. The average Ni—N bond distance is 2.095 Å. Energy framework analysis at the HF/3–21 G theory level was performed to qu­antify the inter­action energies in the crystal structure.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 11","pages":"Pages 1235-1239"},"PeriodicalIF":0.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660485/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875825","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":"The crystal structures determination and Hirshfeld surface analysis of N-(4-bromo-3-meth­oxy­phen­yl)- and N-{[3-bromo-1-(phenyl­sulfon­yl)-1H-indol-2-yl]meth­yl}- derivatives of N-{[3-bromo-1-(phenylsulfon­yl)-1H-indol-2-yl]meth­yl}benzene­sulfonamide","authors":"S. Madhan ,&nbsp;M. NizamMohideen ,&nbsp;Vinayagam Pavunkumar ,&nbsp;Arasambattu K. MohanaKrishnan","doi":"10.1107/S2056989024009587","DOIUrl":"10.1107/S2056989024009587","url":null,"abstract":"<div><div>The crystal structures of two 1<em>H</em>-indole derivatives are described and the analysis of the inter­molecular contacts in the crystals using Hirshfeld surface analysis and two-dimensional fingerprint plots is reported.</div></div><div><div>Two new phenyl­sulfonyl­indole derivatives, namely, <em>N</em>-{[3-bromo-1-(phenyl­sulfon­yl)-1<em>H</em>-indol-2-yl]meth­yl}-<em>N</em>-(4-bromo-3-meth­oxy­phen­yl)benzene­sulfonamide, C₂₈H₂₂Br₂N₂O₅S₂, (<strong>I</strong>), and <em>N</em>,<em>N</em>-bis­{[3-bromo-1-(phenyl­sulfon­yl)-1<em>H</em>-indol-2-yl]meth­yl}benzene­sulfonamide, C₃₆H₂₇Br₂N₃O₆S₃, (<strong>II</strong>), reveal the impact of intra­molecular π–π inter­actions of the indole moieties as a factor not only governing the conformation of <em>N</em>,<em>N</em>-bis­(1<em>H</em>-indol-2-yl)meth­yl)amines, but also significantly influencing the crystal patterns. For <strong>I</strong>, the crystal packing is dominated by C—H⋯π and π–π bonding, with a particular significance of mutual indole–indole inter­actions. In the case of <strong>II</strong>, the mol­ecules adopt short intra­molecular π–π inter­actions between two nearly parallel indole ring systems [with the centroids of their pyrrole rings separated by 3.267 (2) Å] accompanied by a set of forced Br⋯O contacts. This provides suppression of similar inter­actions between the mol­ecules, while the importance of weak C—H⋯O hydrogen bonding to the packing naturally increases. Short contacts of the latter type [C⋯O = 3.389 (6) Å] assemble pairs of mol­ecules into centrosymmetric dimers with a cyclic <em>R</em>₂²(13) ring motif. These findings are consistent with the results of a Hirshfeld surface analysis and together they suggest a tool for modulating the supra­molecular behavior of phenyl­sulfonyl­ated indoles.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 11","pages":"Pages 1110-1117"},"PeriodicalIF":0.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660482/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875906","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":"Triclinic polymorph of bis­[2-methyl-3-(pyridin-2-yl)imidazo[1,5-a]pyridin-2-ium] tetra­chloridocadmium(II)","authors":"Olga Yu. Vassilyeva ,&nbsp;Elena A. Buvaylo ,&nbsp;Vladimir N. Kokozay ,&nbsp;Evgeny A. Goreshnik","doi":"10.1107/S2056989024009654","DOIUrl":"10.1107/S2056989024009654","url":null,"abstract":"<div><div>The photoluminescent properties of the monoclinic and triclinic polymorphs in the solid state are strictly comparable, presumably because the spatial organization of both polymorphs is quite similar.</div></div><div><div>The crystal structure of the title organic–inorganic hybrid salt, (C₁₃H₁₂N₃)₂[CdCl₄], (I), has been reported with four mol­ecules in the asymmetric unit in a monoclinic cell [Vassilyeva <em>et al.</em> (2021<span><span>#</span></span>). <em>RSC Advances</em>, <strong>11</strong>, 7713–7722]. While using two different aldehydes in the oxidative cyclization–condensation involving CH₃NH₂·HCl to prepare a new monovalent cation with the imidazo[1,5-<em>a</em>]pyridinium skeleton, a new polymorph was obtained for (I) in space group <em>P</em>1 and a unit cell with approximately half the volume of the monoclinic form. The structural configurations of the two crystallographically non-equivalent organic cations as well as the geometry of the moderately distorted tetra­hedral CdCl₄^2– dianion show minor changes. In the crystal, identically stacked cations and tetra­chloro­cadmate anions form separate columns parallel to the <em>a</em> axis. The loose packing of the anions leads to a minimal separation of approximately 9.53 Å between the metal atoms in the triclinic form <em>versus</em> 7.51 Å in the monoclinic one, indicating that the latter is packed slightly more densely. The two forms also differ by aromatic stacking motifs. Similar to the monoclinic polymorph, the triclinic one excited at 364 nm shows an intense unsymmetrical photoluminescent band with maximum at 403 nm and a full width at half maximum of 51 nm in the solid state.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 11","pages":"Pages 1125-1129"},"PeriodicalIF":0.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660487/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875909","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 and crystal structure of 1,3,5-tris­[(1H-benzotriazol-1-yl)meth­yl]-2,4,6-tri­ethyl­benzene","authors":"Niklas Koch ,&nbsp;Sebastian Förster ,&nbsp;Monika Mazik","doi":"10.1107/S2056989024009988","DOIUrl":"10.1107/S2056989024009988","url":null,"abstract":"<div><div>The tripodal title mol­ecule exists in a conformation in which the substituents attached to the central arene ring are arranged in an alternating order above and below the ring plane. In the crystal, only weak mol­ecular cross-linking involving C—H⋯N hydrogen bonds is observed.</div></div><div><div>In the crystal structure of the title compound, C₃₃H₃₃N₉, the tripodal mol­ecule exists in a conformation in which the substituents attached to the central arene ring are arranged in an alternating order above and below the ring plane. The three benzotriazolyl moieties are inclined at angles of 88.3 (1), 85.7 (1) and 82.1 (1)° with respect to the mean plane of the benzene ring. In the crystal, only weak mol­ecular cross-linking involving C—H⋯N hydrogen bonds is observed.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 11","pages":"Pages 1240-1243"},"PeriodicalIF":0.5,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660467/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142875874","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}