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3-(2,3-二氧代吲哚啉-1-基)丙腈

3-(2,3-Dioxoindolin-1-yl)propane-nitrile.

作者信息

Qachchachi Fatima-Zahrae, Kandri Rodi Youssef, Essassi El Mokhtar, Bodensteiner Michael, El Ammari Lahcen

机构信息

Laboratoire de Chimie Organique Appliquée, Université Sidi Mohamed Ben Abdallah, Faculté des Sciences et Techniques, Route d'Immouzzer, BP 2202 Fès, Morocco.

Laboratoire de Chimie Organique Hétérocyclique, URAC 21, Pôle de Compétences Pharmacochimie, Université Mohammed V-Agdal, Avenue Ibn Battouta, BP 1014, Rabat, Morocco.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Feb 26;70(Pt 3):o361-2. doi: 10.1107/S1600536814003985. eCollection 2014 Mar 1.

DOI:10.1107/S1600536814003985
PMID:24765047
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3998493/
Abstract

The asymmetric unit of the title compound, C11H8N2O2, contains two independent mol-ecules (A and B). Each mol-ecule is build up from fused five- and six-membered rings with the former linked to a cyano-ethyl group. The indoline ring and two carbonyl O atoms of each mol-ecule are nearly coplanar, with the largest deviations from the mean planes being 0.0198 (9) (mol-ecule A) and 0.0902 (9) Å (mol-ecule B), each by a carbonyl O atom. The fused ring system is nearly perpendicular to the mean plane passing through the cyano-ethyl chains, as indicated by the dihedral angles between them of 69.72 (9) (mol-ecule A) and 69.15 (9)° (mol-ecule B). In the crystal, mol-ecules are linked by C-H⋯O and π-π [inter-centroid distance between inversion-related indoline (A) rings = 3.6804 (7) Å] inter-actions into a double layer that stacks along the a-axis direction.

摘要

标题化合物C11H8N2O2的不对称单元包含两个独立的分子(A和B)。每个分子由稠合的五元环和六元环组成,前者与一个氰基乙基相连。每个分子的二氢吲哚环和两个羰基O原子几乎共面,与平均平面的最大偏差分别为0.0198 (9) Å(分子A)和0.0902 (9) Å(分子B),均由一个羰基O原子引起。如它们之间的二面角为69.72 (9)°(分子A)和69.15 (9)°(分子B)所示,稠合环系统几乎垂直于穿过氰基乙基链的平均平面。在晶体中,分子通过C-H⋯O和π-π相互作用[反演相关二氢吲哚(A)环之间的质心间距 = 3.6804 (7) Å]连接成沿a轴方向堆叠的双层结构。