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2,3-二溴-3-苯基-1-(3-苯基-4-亚甲基异恶唑-5-酮基)丙-1-酮

2,3-Dibromo-3-phenyl-1-(3-phenyl-sydnon-4-yl)propan-1-one.

作者信息

Fun Hoong-Kun, Hemamalini Madhukar, Kalluraya Balakrishna

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):o814. doi: 10.1107/S1600536811008026. Epub 2011 Mar 9.

Abstract

IN THE TITLE COMPOUND [SYSTEMATIC NAME: 4-(2,3-dibromo-3-phenyl-propano-yl)-3-phenyl-1,2,3-oxadiazol-3-ylium-5-olate], C(17)H(12)Br(2)N(2)O(3), the oxadiazole ring is essentially planar, with a maximum deviation of 0.001 (3) Å. The central oxadiazole ring makes dihedral angles of 73.3 (2) and 29.0 (2)° with the adjacent and remote phenyl rings, respectively. In the crystal, adjacent mol-ecules are connected by C-H⋯O hydrogen bonds, forming a supra-molecular chain along the c axis. There is an intra-molecular C-H⋯O hydrogen bond, which generates an S(6) ring motif.

摘要

在标题化合物[系统名称:4-(2,3-二溴-3-苯基丙酰基)-3-苯基-1,2,3-恶二唑-3-鎓-5-醇盐],C(17)H(12)Br(2)N(2)O(3)中,恶二唑环基本呈平面状,最大偏差为0.001(3)Å。中心恶二唑环与相邻和远程苯环分别形成73.3(2)和29.0(2)°的二面角。在晶体中,相邻分子通过C-H⋯O氢键相连,沿c轴形成超分子链。存在分子内C-H⋯O氢键,形成S(6)环模式。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9f9e/3099808/2ae908da8b1d/e-67-0o814-fig1.jpg

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