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3-{[3-(4-氯苯基)-4,5-二氢-1,2-恶唑-5-基]甲基}-1,5-二甲基-1H-1,5-苯并二氮杂卓-2,4(3H,5H)-二酮

3-{[3-(4-Chloro-phen-yl)-4,5-dihydro-1,2-oxazol-5-yl]meth-yl}-1,5-dimethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione.

作者信息

Dardouri Rachida, Rodi Youssef Kandri, Ladeira Sonia, Essassi El Mokhtar, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Feb 26;67(Pt 3):o720. doi: 10.1107/S160053681100657X.

DOI:10.1107/S160053681100657X
PMID:21522462
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3052140/
Abstract

The seven-membered ring of the title mol-ecule, C(21)H(20)ClN(3)O(3), adopts a boat-shaped conformation (with the C atoms of the fused-ring as the stern and the methine C atom as the prow). The substituent at the 3-position occupies an equatorial position; its five-membered ring is approximately planar (r.m.s. deviation = 0.081 Å), and is aligned at 14.5 (1)° with respect to the chloro-phenyl ring to which it is connected.

摘要

标题分子C(21)H(20)ClN(3)O(3)的七元环呈船形构象（稠环的C原子为船尾，次甲基C原子为船头）。3位的取代基占据赤道位置；其五元环近似平面（均方根偏差 = 0.081 Å），且相对于与其相连的氯苯环呈14.5 (1)°的夹角排列。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af2a/3052140/cb53ed72167f/e-67-0o720-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af2a/3052140/cb53ed72167f/e-67-0o720-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/af2a/3052140/cb53ed72167f/e-67-0o720-fig1.jpg

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