甲基(11aR，12S，13R，15aS，15bS*)-11-氧-11,11a,12,13-四氢- 9h, 15hb -13,15a-环氧-异吲哚[1,2-c]吡咯[1,2-a][1,4]苯二氮卓-12-羧酸酯的晶体结构。

IF 0.9

Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-05 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814023344

Vladimir P Zaytsev, Daria N Orlova, Atash V Gurbanov, Fedor I Zubkov, Victor N Khrustalev

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引用次数: 0

摘要

标题化合物C21H18N2O4作为外消旋体得到，含有一种新的杂环体系，即异吲哚[1,2-c]吡咯-[1,2-a][1,4]苯二氮平。中心的二氮杂环具有扭曲的船形构象，两个苯基烯和一个甲基C原子与环其余部分的平均平面分别偏离0.931(1)、0.887(1)和0.561 (1)Å。γ-内酯环呈包络构象，与酰胺键相对的C原子与其平面偏差0.355 (1)Å。在晶体中，分子通过一对对C-H⋯O氢键形成中心对称的二聚体。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Crystal strucutre of rac-methyl (11aR*,12S*,13R*,15aS*,15bS*)-11-oxo-11,11a,12,13-tetra-hydro-9H,15bH-13,15a-ep-oxy-isoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine-12-carboxyl-ate.

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Crystal strucutre of rac-methyl (11aR*,12S*,13R*,15aS*,15bS*)-11-oxo-11,11a,12,13-tetra-hydro-9H,15bH-13,15a-ep-oxy-isoindolo[1,2-c]pyrrolo[1,2-a][1,4]benzodiazepine-12-carboxyl-ate.

The title compound, C21H18N2O4, obtained as a racemate, contains a novel heterocyclic system, viz. isoindolo[1,2-c]pyrrolo-[1,2-a][1,4]benzodiazepine. The central diazepane ring has a distorted boat conformation with two phenyl-ene-fused and one methine C atom deviating by 0.931 (1), 0.887 (1) and 0.561 (1) Å, respectively, from the mean plane of the rest of the ring. The γ-lactone ring has an envelope conformation, with the C atom opposite to amide bond deviating by 0.355 (1) Å from its plane. In the crystal, mol-ecules form centrosymmetric dimers through pairs of C-H⋯O hydrogen bonds.

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来源期刊

Acta crystallographica. Section E, Structure reports online 化学-晶体学

自引率

33.30%

发文量

审稿时长

1.3 months

期刊介绍： Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.