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2,3-二甲氧基-5,6,7,8,13,13a-六氢-6a,8-二氮杂茚并-[2,1-b]菲甲醇单溶剂合物的晶体结构

Crystal structure of 2,3-dimeth-oxy-5,6,7,8,13,13a-hexa-hydro-6a,8-di-aza-indeno-[2,1-b]phenanthrene methanol monosolvate.

作者信息

Adizov Shahobiddin M, Saidov Abdusalom Sh, Turgunov Kambarali K, Okmanov Rasul Ya, Tashkhodjaev Bakhodir

机构信息

S.Yunusov Institute of the Chemistry of Plant Substances, Academy of Sciences of Uzbekistan, Mirzo Ulugbek Str. 77, Tashkent 100170, Uzbekistan.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Jul 15;71(Pt 8):o574-5. doi: 10.1107/S2056989015013286. eCollection 2015 Aug 1.

DOI:10.1107/S2056989015013286
PMID:26396804
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4571404/
Abstract

The asymmetric unit of the title solvate, C21H22N2O2·CH3OH, contains one methanol solvent mol-ecule and one mol-ecule of the heterocycle that is built up by the fusion of four six-membered rings A, C, D, E and one five-membered ring B. The indole moiety (rings A and B) is essentially planar, with an r.m.s. deviation of 0.013 Å, whereas rings C and D adopt a twisted conformation with a trans-ring junction. In the crystal, two heterocyclic mol-ecules are associated with two methanol mol-ecules through mutual N-H⋯O and O-H⋯N hydrogen bonds, forming a centrosymmetric dimer.

摘要

标题溶剂化物C21H22N2O2·CH3OH的不对称单元包含一个甲醇溶剂分子和一个由四个六元环A、C、D、E和一个五元环B稠合而成的杂环分子。吲哚部分(环A和B)基本呈平面状,均方根偏差为0.013 Å,而环C和D采用具有反式环连接的扭曲构象。在晶体中,两个杂环分子通过相互的N-H⋯O和O-H⋯N氢键与两个甲醇分子缔合,形成一个中心对称二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4574/4571404/55fd7356a226/e-71-0o574-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4574/4571404/d9d4d987609e/e-71-0o574-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4574/4571404/55fd7356a226/e-71-0o574-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4574/4571404/d9d4d987609e/e-71-0o574-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4574/4571404/55fd7356a226/e-71-0o574-fig2.jpg

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