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1-[2-(吗啉-4-基)乙基]-2-[4-(三氟甲基)苯基]-1H-苯并咪唑-5-羧酸乙酯

Ethyl 1-[2-(morpholin-4-yl)eth-yl]-2-[4-(trifluoro-meth-yl)phen-yl]-1H-benzimid-azole-5-carboxyl-ate.

作者信息

Yoon Yeong Keng, Ali Mohamed Ashraf, Choon Tan Soo, Hemamalini Madhukar, Fun Hoong-Kun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1215. doi: 10.1107/S1600536811014619. Epub 2011 Apr 29.

Abstract

In the title compound, C(23)H(24)F(3)N(3)O(3), the morpholine ring adopts a chair conformation. The benzimidazole ring is approximately planar, with a maximum deviation of 0.028 (1) Å for one of the unsubstituted C atoms. The benzimidazole ring makes dihedral angles of 35.66 (4) and 75.45 (5)° with the attached phenyl and morpholine rings, respectively. In the crystal structure, adjacent mol-ecules are linked via C-H⋯F and C-H⋯O hydrogen bonds to form a two-dimensional network.

摘要

在标题化合物C₂₃H₂₄F₃N₃O₃中,吗啉环呈椅式构象。苯并咪唑环近似平面,其中一个未取代的C原子的最大偏差为0.028 (1) Å。苯并咪唑环与相连的苯环和吗啉环分别形成35.66 (4)°和75.45 (5)°的二面角。在晶体结构中,相邻分子通过C—H⋯F和C—H⋯O氢键相连形成二维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2bcb/3089142/93a039b65538/e-67-o1215-fig1.jpg

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