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洛粉碱(2,4,5-三苯基-1H-咪唑)。

Lophine (2,4,5-triphenyl-1H-imidazole).

作者信息

Yanover Diana, Kaftory Menahem

机构信息

Schulich Faculty of Chemistry, Technion - Israel Institute of Technology, Haifa 32000, Israel.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 6;65(Pt 4):o711. doi: 10.1107/S1600536809006552.

DOI:10.1107/S1600536809006552
PMID:21582448
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968781/
Abstract

The title compound, C(21)H(16)N(2), has been known since 1877. Although the crystal structure of 36 derivatives of lophine are known, the structure of parent compound has remained unknown until now. The three phenyl rings bonded to the imidazole core are not coplanar with the latter, with dihedral angles of 21.4 (3), 24.7 (3), and 39.0 (3)°, respectively, between the phenyl ring planes in the 2-, 4- and 5-positions of the imidazole ring. The mol-ecules are packed in layers running perpendicular to the b axis. Although there are acceptor and donor atoms for hydrogen bonds, no such inter-actions are detected in the crystal in contrast to other lophine derivatives.

摘要

标题化合物C(21)H(16)N(2)自1877年起就已为人所知。尽管已知洛粉碱36种衍生物的晶体结构,但母体化合物的结构至今仍不清楚。与咪唑核心相连的三个苯环与后者不共面,咪唑环2、4和5位的苯环平面之间的二面角分别为21.4 (3)°、24.7 (3)°和39.0 (3)°。分子堆积成垂直于b轴的层状结构。尽管存在氢键的受体和供体原子,但与其他洛粉碱衍生物不同,在该晶体中未检测到此类相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b61c/2968781/1a4e7f7bd64d/e-65-0o711-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b61c/2968781/cb489bcfecd2/e-65-0o711-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b61c/2968781/1a4e7f7bd64d/e-65-0o711-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b61c/2968781/cb489bcfecd2/e-65-0o711-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b61c/2968781/1a4e7f7bd64d/e-65-0o711-fig2.jpg

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