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6-（4-氨基-苯基）-2-乙氧基-4-（2-噻吩基）烟腈

6-(4-Amino-phen-yl)-2-eth-oxy-4-(2-thien-yl)nicotinonitrile.

作者信息

Fun Hoong-Kun, Chantrapromma Suchada, Kobkeatthawin Thawanrat, Padaki Mahesh, Isloor Arun M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 26;66(Pt 7):o1811-2. doi: 10.1107/S160053681002369X.

DOI:10.1107/S160053681002369X
PMID:21588020
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006713/
Abstract

In the title nicotinonitrile derivative, C(18)H(15)N(3)OS, the central pyridyl ring makes dihedral angles of 25.22 (10) and 24.80 (16)° with the 4-amino-phenyl and thio-phene rings, respectively. The thio-phene ring is disordered over two orientations by rotation around the C(thio-phene)-C(pyridine) bond; the occupancies are 0.858 (2) and 0.142 (2). The eth-oxy group is slightly twisted from the attached pyridyl ring [C-O-C-C torsion angle = 171.13 (16)°]. In the crystal structure, mol-ecules are linked by N-H⋯N hydrogen bonds into chains along [010]. These chains are stacked along the a axis. C-H⋯π weak inter-actions involving the thio-phene ring are observed.

摘要

在标题化合物烟腈衍生物C(18)H(15)N(3)OS中，中心吡啶环与4-氨基苯基环和噻吩环的二面角分别为25.22 (10)°和24.80 (16)°。噻吩环通过围绕C(噻吩)-C(吡啶)键的旋转在两个取向间无序；占有率分别为0.858 (2)和0.142 (2)。乙氧基与相连的吡啶环略有扭曲[C-O-C-C扭转角 = 171.13 (16)°]。在晶体结构中，分子通过N-H⋯N氢键沿[010]方向连接成链。这些链沿a轴堆积。观察到涉及噻吩环的C-H⋯π弱相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/24df/3006713/19623cbdf41f/e-66-o1811-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/24df/3006713/7d167c23952e/e-66-o1811-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/24df/3006713/19623cbdf41f/e-66-o1811-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/24df/3006713/7d167c23952e/e-66-o1811-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/24df/3006713/19623cbdf41f/e-66-o1811-fig2.jpg

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