Danylo S. Kreiman , Dmytro M. Korytko , Iryna S. Kuzevanova , Mihaela Dascalu , Il’ya A. Gural’skiy
{"title":"Crystal structure of bis(2-bromoethylammonium) hexabromidostannate(IV)","authors":"Danylo S. Kreiman , Dmytro M. Korytko , Iryna S. Kuzevanova , Mihaela Dascalu , Il’ya A. Gural’skiy","doi":"10.1107/S2056989025010588","DOIUrl":"10.1107/S2056989025010588","url":null,"abstract":"<div><div>Bis(2-bromoethanamminium) hexabromidostannate(IV) is a hybrid tin perovskite with 0D topology due to the presence of isolated octahedral [SnBr<sub>6</sub>]<sup>2–</sup> anions.</div></div><div><div>In the hybride title salt, (C<sub>2</sub>H<sub>7</sub>BrN)<sub>2</sub>[SnBr<sub>6</sub>], the charge of the anionic [SnBr<sub>6</sub>]<sup>2−</sup> moiety is balanced by two (H<sub>3</sub>N(CH<sub>2</sub>)<sub>2</sub>Br)<sup>+</sup> cations. The tin(IV) atom is located on a mirror plane and has a slightly distorted octahedral coordination environment. The inorganic octahedra are discrete, thus leading to a 0D topology within the crystal structure. The two crystallographically unique organic cations have different conformations: while one has a <em>gauche</em> conformation, the other has an <em>anti</em> conformation, both without special symmetry but with positional disorder over the crystallographic mirror plane. Contacts between organic and inorganic parts in the crystal structure are ensured by N—H⋯Br hydrogen bonds and weak Br⋯Br and C—H⋯Br interactions.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 1","pages":"Pages 1-4"},"PeriodicalIF":0.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145963256","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis and structure of N-(perfluorophenyl)isonicotinamide","authors":"Arindam Saha , Garry S Hanan , Mihaela Cibian","doi":"10.1107/S2056989025010679","DOIUrl":"10.1107/S2056989025010679","url":null,"abstract":"<div><div>The title compound crystallizes with two independent molecules in the asymmetric unit, which are connected into chains by N—H⋯O hydrogen bonds.</div></div><div><div>The title compound [systematic name: <em>N</em>-(2,3,4,5,6-pentafluorophenyl)pyridine-4-carboxamide], C<sub>12</sub>H<sub>5</sub>F<sub>5</sub>N<sub>2</sub>O, crystallizes with two independent molecules (<em>A</em> and <em>B</em>) in the asymmetric unit in space group <em>P</em>1. The molecules adopt a conformation where the planes of the pentafluorophenyl and pyridyl rings have twist angles of 5.3 (1) and 14.5 (1)°. In the crystal, the molecules are connected by N—H⋯N hydrogen bonds between the amide H atom and the pyridyl nitrogen atom of an adjacent molecule to generate [110] chains of alternating <em>A</em> and <em>B</em> molecules. The packing is consolidated by C—H⋯π interactions, π–π stacking and C—H⋯O interactions and a short F⋯F contact of 2.7270 (13) Å occurs. The structures of related isonicotinamides are surveyed.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 1","pages":"Pages 19-23"},"PeriodicalIF":0.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145963257","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis, crystal structure, Hirshfeld surface and DFT analysis of bis(4-oxo-4-phenylbut-2-en-2-olato-κ2O,O′)copper(II)","authors":"Kyzlarkhan Siddikova , Sardor Murodov , Daminbek Ziyatov , Dilafruz Jabbarova , Jamshid Ashurov , Shakhlo Daminova","doi":"10.1107/S2056989025011089","DOIUrl":"10.1107/S2056989025011089","url":null,"abstract":"<div><div>Bis(4-phenylbutan-2-one-κ<sup>2</sup><em>O</em>,<em>O</em>′)copper(II) (<em>P</em>2<sub>1</sub>/<em>n</em>) features an almost ideal square-planar CuO<sub>4</sub> core and forms offset chains along [011] consolidated by π–π, weak π–metal and C—H⋯O contacts. Hirshfeld analysis shows dominant H⋯H contacts (54.8%); DFT (UB3LYP, ECP on Cu) gives HOMO/LUMO = −6.19/−1.83 eV (Δ<em>E</em> = 4.36 eV), consistent with mixed MLCT/ligand-centered transitions and high electronic stability.</div></div><div><div>In the title compound, [Cu(C<sub>10</sub>H<sub>9</sub>O<sub>2</sub>)<sub>2</sub>], which crystallizes in space group <em>P</em>2<sub>1</sub>/<em>n</em>, the central Cu<sup>II</sup> ion is four-coordinate and closely approaches an ideal square-planar geometry: Cu—O = 1.9173 (18)–1.920 (2) Å, O—Cu—O = 93.34 (7)°, τ<sub>4</sub> = 0.00, CShM(square-planar) = 0.085. The crystal packing features offset chains along [011] consolidated by π–π interactions [<em>Cg</em>⋯<em>Cg</em> = 3.1293 (1) Å], weak π–metal contacts [<em>Cg</em>⋯Cu = 3.390 (2) Å], and C—H⋯O contacts; Hirshfeld surface analysis shows dominant H⋯H contacts (54.8%), followed by H⋯C (18.8%) and O⋯H (11.3%). DFT (UB3LYP, ECP on Cu) yields <em>E</em>(HOMO) = −6.19 eV, <em>E</em>(LUMO) = −1.83 eV, Δ<em>E</em> = 4.36 eV; the HOMO has a significant metal contribution while the LUMO is ligand π* in character, indicating mixed metal-to-ligand charge-transfer (MLCT)/ligand-centered transitions and high electronic stability.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 1","pages":"Pages 77-81"},"PeriodicalIF":0.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145963251","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis, crystal structure and Hirshfeld surface analysis of bis(1H-benzimidazole-κN3)bis(benzimidazole-2-carboxylato-κ2N3,O)cobalt(II)","authors":"Farangiz Khujayeva , Sardor Murodov , Rukhshona Muratkulova , Soliha Rixsiboyeva , Kambarali Turgunov , Bakhodir Tashkhodjaev , Shakhlo Daminova","doi":"10.1107/S2056989025011211","DOIUrl":"10.1107/S2056989025011211","url":null,"abstract":"<div><div>The cobalt(II) complex, [C<sub>30</sub>H<sub>22</sub>CoN<sub>8</sub>O<sub>4</sub>], crystallizes in the monoclinic space group <em>P2</em><sub>1</sub><em>/c</em>, with the Co<sup>+2</sup> ion adopting an octahedral coordination environment. The crystal structure features N—H⋯O hydrogen bonds and C—H⋯π contacts forming a chain along [011]. Hirshfeld surface analysis indicates that H⋯C/C⋯H and H⋯H contacts dominate the intermolecular interactions.</div></div><div><div>The title complex, [Co(C<sub>8</sub>H<sub>5</sub>N<sub>2</sub>O<sub>2</sub>)<sub>2</sub>(C<sub>7</sub>H<sub>6</sub>N<sub>2</sub>)<sub>2</sub>], crystallizes in the monoclinic space group <em>P2</em><sub>1</sub><em>/c</em> with one-half of the molecule in the asymmetric unit. The Co<sup>2+</sup> ion exhibits a distorted octahedral environment formed by two monodentate benzimidazole ligands and two bidentate benzimidazole-2-carboxylate ligands. The crystal packing features N—H⋯O hydrogen bonds and C—H⋯π contacts, which generate a chain along [011]. Hirshfeld surface analysis shows that H⋯C/C⋯H (36.2%) and H⋯H (35.3%) contacts dominate the intermolecular interactions, followed by O⋯H/H⋯O and N⋯H/H⋯N contributions.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 1","pages":"Pages 91-95"},"PeriodicalIF":0.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145963222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Aidan P. McKay , David B. Cordes , Mohd Abdul Fatah Abdul Manan
{"title":"Different intermolecular interactions in solvated and unsolvated isatin-based dithiocarbazate imine derivatives","authors":"Aidan P. McKay , David B. Cordes , Mohd Abdul Fatah Abdul Manan","doi":"10.1107/S2056989025011028","DOIUrl":"10.1107/S2056989025011028","url":null,"abstract":"<div><div>The crystal structures of a solvated and an unsolvated dithiocarbazate imine derivatives are compared and contrasted.</div></div><div><div>The syntheses and structures of 2-fluorobenzyl (<em>Z</em>)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate dimethyl sulfoxide monosolvate, C<sub>16</sub>H<sub>12</sub>FN<sub>3</sub>OS<sub>2</sub>·C<sub>2</sub>H<sub>6</sub>OS (<strong>1</strong>) and 2-fluorobenzyl (<em>Z</em>)-2-(5-bromo-2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate, C<sub>16</sub>H<sub>11</sub>BrFN<sub>3</sub>OS<sub>2</sub> (<strong>2</strong>) are reported. Both structures feature a <em>Z</em>-configuration with respect to the C=N bond and the fluorobenzyl ring is approximately orthogonal to the isatin moiety. For <strong>1</strong>, the crystal packing features weak C<sub>ar</sub>—H⋯S (ar = aromatic) hydrogen bonds that link adjacent molecules in a <em>C</em>(10) fashion to form pleated chains propagating along [001] and short S⋯O contacts between dimethyl sulfoxide solvent molecules forming chains along [010]. The N—H hydrogen bond donors in <strong>1</strong> form either intramolecular or discrete N—H⋯O<sub>(DMSO)</sub> hydrogen bonds. In <strong>2</strong>, alternating <em>R</em><sup>2</sup><sub>2</sub>(8)-type pairwise N—H⋯O hydrogen bonds and short F⋯Br contacts link the molecules into chains propagating along [210]. The later unsolvated structure is of notably poorer quality and exhibits disorder in its <em>o</em>-fluorobenzyl group, with a 180° flip and a small twist around the S—C bond. These findings are consistent with the results of Hirshfeld surface analyses.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 1","pages":"Pages 72-76"},"PeriodicalIF":0.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145963219","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis and crystal structure of Sr2Cu(OH)4[B(OH)4]2","authors":"Hibiki Kunisawa , Jun-ichi Yamaura , Toshihiro Nomura","doi":"10.1107/S2056989025011491","DOIUrl":"10.1107/S2056989025011491","url":null,"abstract":"<div><div>The isotypic strontium analogue of the mineral henmilite, Sr<sub>2</sub>Cu(OH)<sub>4</sub>[B(OH)<sub>4</sub>]<sub>2</sub>, displays a quasi two-dimensional spin system with Cu<sup>II</sup> ions.</div></div><div><div>Single crystals of distrontium copper(II) tetrahydroxide bis(tetrahydroxidoborate), Sr<sub>2</sub>Cu(OH)<sub>4</sub>[B(OH)<sub>4</sub>]<sub>2</sub>, were obtained by an ammonia evaporation method at room temperature. The compound crystallizes in the triclinic system, space group <em>P</em>1, and is isotypic with the calcium analogue henmilite, Ca<sub>2</sub>Cu(OH)<sub>4</sub>[B(OH)<sub>4</sub>]<sub>2</sub>. The {Cu(OH)<sub>4</sub>} units form a deformed square lattice in the <em>ac</em> plane, giving rise to a quasi-two-dimensional arrangement of Cu<sup>II</sup> ions. An intricate network of O—H⋯O hydrogen bonds of medium strengths with the [B(OH)<sub>4</sub>] units as the primary donor groups consolidate the framework structure.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 1","pages":"Pages 103-106"},"PeriodicalIF":0.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145963229","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Crystal structure and Hirshfeld surface analysis of [FeCl4(LH)2] (LH = 1H-imidazo[4,5-b]pyridin-4-ium)","authors":"Soffa Imene , Bouhidel Zakaria , Sahli Kaouther , Cherouana Aouatef , Bendeif El-Eulmi","doi":"10.1107/S2056989025010564","DOIUrl":"10.1107/S2056989025010564","url":null,"abstract":"<div><div>The crystal structure of the complex tetrachloridobis(1<em>H</em>-imidazo[4,5-<em>b</em>]pyridin-4-ium-κ<em>N</em><sup>3</sup>)iron(II) has been determined. The compound crystallizes in the monoclinic system and shows an octahedral coordination environment around the Fe centre.</div></div><div><div>The title coordination complex tetrachloridobis(1<em>H</em>-imidazo[4,5-<em>b</em>]pyridin-4-ium-κ<em>N</em><sup>3</sup>)iron(II), [FeCl<sub>4</sub>(C<sub>6</sub>H<sub>6</sub>N<sub>3</sub>)<sub>2</sub>] or [FeCl<sub>4</sub>(LH)<sub>2</sub>], was synthesized and structurally characterized by single-crystal X-ray diffraction. The complex crystallizes in the triclinic space group <em>P</em>1. The iron atom (site symmetry <blockquote><div><figure></figure></div></blockquote>) is hexa-coordinated, adopting a slightly distorted octahedral geometry defined by two 1<em>H</em>-imidazo[4,5-<em>b</em>]pyridinium ligands and four chloride anions. In the crystal, N—H⋯Cl hydrogen bonds generate two-dimensional layers parallel to the <em>ab</em> plane, while the three-dimensional supramolecular framework is further consolidated by C—H⋯Cl interactions. In addition, π–π stacking interactions contribute to the overall cohesion of the crystal structure. Hirshfeld surface analysis indicates the significance of various intermolecular contacts in the crystal packing, with major contributions from Cl⋯H/H⋯Cl (43.2%), H⋯H (22.5%), C⋯H/H⋯C (16.4%), H⋯N/N⋯H (4.4%), N⋯C/C⋯N (3.7%), C⋯C (3.6%), Cl⋯N/N⋯Cl (3.2%), Cl⋯C/C⋯Cl (2.4%), and N⋯N (0.6%) interactions.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 1","pages":"Pages 10-13"},"PeriodicalIF":0.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145963291","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Crystal structure and near-infrared emission of trans-dichlorido(dimethoxyphenylphosphine)[4,4′,4′′-tris(methoxycarbonyl)-2,2′:6′,2′′-terpyridine]ruthenium(II) monohydrate","authors":"Takumi Kinoshita , Hiroshi Segawa","doi":"10.1107/S2056989025010862","DOIUrl":"10.1107/S2056989025010862","url":null,"abstract":"<div><div>In the title Ru<sup>II</sup> complex, a meridionally bound 4,4′,4′′-tris(methoxycarbonyl)terpyridine and a dimethoxyphenylphosphine ligand define a distorted <em>trans</em>-RuN<sub>3</sub>PCl<sub>2</sub> octahedral coordination environment, and water molecules of crystallization bridge pairs of complex molecules into discrete hydrogen-bonded dimers.</div></div><div><div>In the title compound, [RuCl<sub>2</sub>(C<sub>21</sub>H<sub>17</sub>N<sub>3</sub>O<sub>6</sub>)(C<sub>8</sub>H<sub>11</sub>O<sub>2</sub>P)]·H<sub>2</sub>O, the Ru<sup>II</sup> atom is coordinated by three N atoms of a meridionally bound 4,4′,4′′-tris(methoxycarbonyl)-2,2′:6′,2′′-terpyridine ligand, a phosphinite P donor and two chloride ligands in a distorted octahedral geometry. The Ru—N distances lie in the range 1.996 (2)–2.078 (2) Å, with a Ru—P distance of 2.2879 (9) Å and Ru—Cl distances of 2.3713 (8) and 2.4191 (8) Å; the N—Ru—N bite angles are 78.59 (9) and 79.10 (9)°, with an N—Ru—N angle of 157.30 (9)° within the terpyridine chelate. The methyl ester groups adopt conformations that minimize steric interactions with the phosphinite phenyl ring and provide potential anchoring sites in the corresponding carboxylic acid dye. In the crystal, pairs of complex molecules are linked into discrete hydrogen-bonded dimers by the water molecule of crystallization: one H atom forms an O—H⋯O contact to a methyl carbonyl O atom [H⋯O = 2.17 Å] and the other H atom forms an O—H⋯Cl contact to a <em>trans</em> chloride ligand of a neighbouring complex [H⋯Cl = 2.40 Å].</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 1","pages":"Pages 51-55"},"PeriodicalIF":0.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145963228","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis, crystal structure and Hirshfeld surface of bis(acetato-κ2O,O′)(2-benzyl-1H-benzimidazole-κN3)copper(II)","authors":"Gulnoza Boboyeva , Gulbeka Mamatova , Sardor Murodov , Komila Ganiyeva , Kambarali Turgunov , Bakhodir Tashkhodjaev , Shakhlo Daminova","doi":"10.1107/S2056989025010813","DOIUrl":"10.1107/S2056989025010813","url":null,"abstract":"<div><div>The copper(II) complex bis(acetato-<em>κ<sup>2</sup>O,O</em>′)(2-(phenylmethyl)-1<em>H</em>-benzimidazolyl)copper(II) crystallizes in the monoclinic space group <em>P2</em><sub>1</sub><em>/n</em> with the Cu<sup>2+</sup> ion exhibiting a distorted octahedral geometry. The crystal packing features N—H⋯O and C—H⋯π interactions.</div></div><div><div>The title copper(II) complex, [Cu(C<sub>2</sub>H<sub>3</sub>O<sub>2</sub>)<sub>2</sub>(C<sub>14</sub>H<sub>12</sub>N<sub>2</sub>)<sub>2</sub>], was synthesized and structurally characterized. It crystallizes in the monoclinic space group <em>P2</em><sub>1</sub><em>/n</em> with one molecule per asymmetric unit. The Cu<sup>2+</sup> ion exhibits a distorted octahedral (4 + 2) coordination geometry. The crystal packing is consolidated by N—H⋯O hydrogen bonds and C—H⋯π interactions. Hirshfeld surface analysis indicates that H⋯H, H⋯C/C⋯H and O⋯H/H⋯O contacts are the major contributors to the crystal packing.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 1","pages":"Pages 28-32"},"PeriodicalIF":0.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145963290","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Crystal structure and Hirshfeld surface analysis of 2-oxo-4-phenyl-2,5,6,7,8,9-hexahydro-1H-cyclohepta[b]pyridine-3-carbonitrile","authors":"Uthirapathi Rajapandiyan , Muruganandham Rajkumar , Haridoss Manikandan , Velusamy Rajathi , Sivashanmugam Selvanayagam","doi":"10.1107/S2056989025010771","DOIUrl":"10.1107/S2056989025010771","url":null,"abstract":"<div><div>The two molecules in the asymmetric unit of the title compound, C<sub>17</sub>H<sub>16</sub>N<sub>2</sub>O, have a structural overlap with a root-mean-square deviation of 1.11 Å.</div></div><div><div>The two molecules in the asymmetric unit of the title compound, C<sub>17</sub>H<sub>16</sub>N<sub>2</sub>O, have a structural overlap with a root-mean-square deviation of 1.11 Å. Both seven-membered cycloheptene rings adopt a chair conformation. Reciprocal intermolecular N—H⋯O hydrogen bonds between neighbouring molecules lead to the consolidation of their molecular conformations. Weak C—H⋯π interactions between neighbouring molecules are also present in the crystal. The intermolecular interactions were quantified and analysed using Hirshfeld surface analysis, revealing that H⋯H interactions contribute the most to the crystal packing (45.4%).</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"82 1","pages":"Pages 47-50"},"PeriodicalIF":0.6,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145963192","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}