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2-氨基-3-氰基-4-(4-甲氧基苯基)-4H-1-苯并噻吩并[3,2-b]吡喃的晶体结构

Crystal structure of 2-amino-3-cyano-4-(4-meth-oxy-phen-yl)-4H-1-benzo-thieno[3,2-b]pyran.

作者信息

Bakhouch Mohamed, El Yazidi Mohamed, Kerbal Abdelali, Saadi Mohamed, El Ammari Lahcen

机构信息

Laboratoire de Chimie Organique, Faculté des Sciences Dhar el Mahraz, Université Sidi Mohammed Ben Abdellah, BP 1796 Atlas, 30000 Fès, Morocco.

Laboratoire de Chimie du Solide Appliquée, Faculté des Sciences, Université Mohammed V de Rabat, Avenue Ibn Battouta, BP 1014, Rabat, Morocco.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Dec 12;71(Pt 12):o1043-4. doi: 10.1107/S2056989015023464. eCollection 2015 Dec 1.

Abstract

The three fused five- and six-membered rings in the title compound, C19H14N2O2S, are virtually coplanar, with the maximum deviation from the mean plane being 0.060 (1) Å. This benzothieno[3,2-b]pyran ring system is nearly perpendic-ular to the plane of the 4-meth-oxy-phenyl ring, forming a dihedral angle of 83.65 (5)°. In the crystal, mol-ecules are linked by pairs of N-H⋯N hydrogen bonds into inversion dimers. The dimeric units are further connected by an N-H⋯O hydrogen bond into a tape running along the b axis. The tapes are linked together by C-H⋯N and π-π inter-actions [centroid-centroid distance = 3.7743 (8) Å], forming a three-dimensional network.

摘要

标题化合物C19H14N2O2S中的三个稠合的五元环和六元环几乎共面,与平均平面的最大偏差为0.060 (1) Å。这种苯并噻吩并[3,2-b]吡喃环系统几乎垂直于4-甲氧基苯基环的平面,形成的二面角为83.65 (5)°。在晶体中,分子通过N-H⋯N氢键对连接成反演二聚体。二聚单元通过N-H⋯O氢键进一步连接成沿b轴延伸的带状结构。这些带通过C-H⋯N和π-π相互作用[质心-质心距离 = 3.7743 (8) Å]连接在一起,形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f5f0/4719970/bf0b563bceee/e-71-o1043-fig1.jpg

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