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3-(10-溴蒽-9-基)-5-甲基-1,2-恶唑-4-羧酸乙酯

Ethyl 3-(10-bromo-anthracen-9-yl)-5-methyl-1,2-oxazole-4-carboxyl-ate.

作者信息

Li Chun, Campbell Michael J, Weaver Matthew J, Duncan Nathan S, Hunting Janet L, Natale Nicholas R

机构信息

Department of Chemistry, Ithaca College, 953 Danby Road, Ithaca, NY 14850, USA.

Department of Pharmaceutical & Biomedical Science, The University of Montana, 32 Campus Drive, Missoula, MT 59812, USA.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Nov 23;69(Pt 12):o1804-5. doi: 10.1107/S1600536813031395. eCollection 2013 Dec 1.

DOI:10.1107/S1600536813031395
PMID:24860293
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4004437/
Abstract

In the title compound, C21H16BrNO3, the mean planes of the anthracene tricycle and isoxazole ring are inclined to each other at a dihedral angle of 72.12 (7)°. The carb-oxy group is slightly out of the isoxazole mean plane, with a maximum deviation of 0.070 (5) Å for the carbonyl O atom. In the crystal, pairs of weak C-H⋯O hydrogen bonds link the mol-ecules into dimers, and weak C-H⋯N inter-actions further link these dimers into corrugated layers parallel to the bc plane.

摘要

在标题化合物C₂₁H₁₆BrNO₃中，蒽三环和异恶唑环的平均平面相互间呈72.12 (7)°的二面角倾斜。羰基略微偏离异恶唑平均平面，羰基O原子的最大偏差为0.070 (5) Å。在晶体中，成对的弱C—H⋯O氢键将分子连接成二聚体，并且弱C—H⋯N相互作用进一步将这些二聚体连接成平行于bc平面的波纹层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7c8a/4004437/bc68e0807b51/e-69-o1804-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7c8a/4004437/45412b016219/e-69-o1804-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7c8a/4004437/bc68e0807b51/e-69-o1804-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7c8a/4004437/45412b016219/e-69-o1804-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7c8a/4004437/bc68e0807b51/e-69-o1804-fig2.jpg

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