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Crystal structure, Hirshfeld surface analysis and density functional theory study of 6-methyl-2-[(5-methylisoxazol-3-yl)methyl]-1H-benzimidazole
In the title molecule, C(13)H(13)N(3)O, the isoxazole ring is inclined to the benzimidazole ring at a dihedral angle of 69.28 (14)°. In the crystal, N—H⋯N hydrogen bonds between neighboring benzimidazole rings form chains along the a-axis direction. Hirshfeld surface analysis indicates that the mos...
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| 出版年: | Acta Crystallogr E Crystallogr Commun |
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| 主要な著者: | , , , , , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
International Union of Crystallography
2021
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| 主題: | |
| オンライン･アクセス: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8025869/ https://ncbi.nlm.nih.gov/pubmed/33936764 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2056989021002723 |
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