دورية أكاديمية
Synthesis, crystal structure and Hirshfeld surface analysis of 2-({5-[(naphthalen-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-nitrophenyl)ethanone
| العنوان: | Synthesis, crystal structure and Hirshfeld surface analysis of 2-({5-[(naphthalen-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-nitrophenyl)ethanone |
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| المؤلفون: | Trong Duc Le, Tien Cong Nguyen, Thi Kim Dung Hoang, Minh Khoi Huynh, Quang Thang Phan, Luc Van Meervelt |
| المصدر: | Acta Crystallographica Section E: Crystallographic Communications, Vol 80, Iss 2, Pp 218-222 (2024) |
| بيانات النشر: | International Union of Crystallography, 2024. |
| سنة النشر: | 2024 |
| المجموعة: | LCC:Crystallography |
| مصطلحات موضوعية: | crystal structure, 1,2,4-triazole, hirshfeld surface, Crystallography, QD901-999 |
| الوصف: | The title compound, C27H20N4O3S, crystallizes in the monoclinic system, space group P21/n, with Z = 4. The global shape of the molecule is determined by the orientation of the substituents on the central 4H-1,2,4-triazole ring. The nitrophenyl ring, phenyl ring, and naphthalene ring system are oriented at dihedral angles of 82.95 (17), 77.14 (18) and 89.46 (15)°, respectively, with respect to the triazole ring. The crystal packing features chain formation in the b-axis direction by S...O interactions. A Hirshfeld surface analysis indicates that the highest contributions to surface contacts arise from contacts in which H atoms are involved. |
| نوع الوثيقة: | article |
| وصف الملف: | electronic resource |
| اللغة: | English |
| تدمد: | 2056-9890 20569890 |
| العلاقة: | http://scripts.iucr.org/cgi-bin/paper?S2056989024000859Test; https://doaj.org/toc/2056-9890Test |
| DOI: | 10.1107/S2056989024000859 |
| الوصول الحر: | https://doaj.org/article/ca6ad942b1484f6a8e8fabab20d185adTest |
| رقم الانضمام: | edsdoj.6ad942b1484f6a8e8fabab20d185ad |
| قاعدة البيانات: | Directory of Open Access Journals |
Full Text Finder | تدمد: | 20569890 |
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| DOI: | 10.1107/S2056989024000859 |