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Hirshfeld surface analysis and crystal structure of 7-methoxy-5-methyl-2-phenyl-11,12-dihydro-5,11-methano-1,2,4-triazolo[1,5-c][1,3,5]benzoxadiazocine

التفاصيل البيبلوغرافية
العنوان: Hirshfeld surface analysis and crystal structure of 7-methoxy-5-methyl-2-phenyl-11,12-dihydro-5,11-methano-1,2,4-triazolo[1,5-c][1,3,5]benzoxadiazocine
المؤلفون: Mustafa Kemal Gumus, Sevgi Kansiz, Necmi Dege, Valentina A. Kalibabchuk
المصدر: Acta Crystallographica Section E: Crystallographic Communications, Vol 74, Iss 9, Pp 1211-1214 (2018)
بيانات النشر: International Union of Crystallography, 2018.
سنة النشر: 2018
المجموعة: LCC:Crystallography
مصطلحات موضوعية: crystal structure, Biginelli condensation, benzoxadiazocine, Hirshfeld surface, Crystallography, QD901-999
الوصف: The title compound, C19H18N4O2, crystallizes with two independent molecules in the asymmetric unit. The triazole ring is inclined to the benzene rings by 9.63 (13) and 87.37 (12)° in one molecule, and by 4.46 (13) and 86.15 (11)° in the other. In the crystal, classical N—H...N hydrogen bonds, weak C—H...O hydrogen bonds and weak C—H...π interactions link the molecules into a three-dimensional supramolecular network. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to investigate the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from H...H (51.4%), H...C/C...H (26.7%), H...O/O...H (8.9%) and H...N/N...H (8%) interactions.
نوع الوثيقة: article
وصف الملف: electronic resource
اللغة: English
تدمد: 2056-9890
20569890
Relation: http://scripts.iucr.org/cgi-bin/paper?S2056989018010848; https://doaj.org/toc/2056-9890
DOI: 10.1107/S2056989018010848
URL الوصول: https://doaj.org/article/786d2eaa5bb7464c979974d2f903cf45
رقم الانضمام: edsdoj.786d2eaa5bb7464c979974d2f903cf45
قاعدة البيانات: Directory of Open Access Journals
الوصف
تدمد:20569890
DOI:10.1107/S2056989018010848