2-Amino-5-oxo-4-(thio­phen-2-yl)-5,6,7,8-tetra­hydro-4H-chromene-3-carbo­nitrile

IUCrData Pub Date : 2024-11-01 DOI:10.1107/S2414314624010496
Carren Nyapola , Sizwe J. Zamisa , Eric M. Njogu , Bernard Omondi
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引用次数: 0

Abstract

In the crystal structure of the title compound, inter­molecular N—H⋯N and N—H⋯O hydrogen bonds form a two-dimensional supra­molecular network along the ac plane, contributing to the cohesion of the crystal.
The crystal structure of the title compound, C14H12N2O2S, reveals two symmetrically independent mol­ecules within the asymmetric unit. Each mol­ecule contains a chromenone core attached to a 2-thio­phene ring, cyano, and amino groups. The 2-thio­phene ring of one of the two mol­ecules in the asymmetric unit was found to be disordered over two positions, with the major component having a site occupancy factor of 0.837 (2). The 2-thio­phene ring is nearly orthogonal to the fused 4H-pyran ring, with dihedral angles between the two sets of planes being 89.5 (5) and 89.63 (8)°. Inter­molecular hydrogen bonding, involving N—H⋯N and N—H⋯O inter­actions, creates two distinct motifs leading to the formation of a two-dimensional supra­molecular network along the crystallographic ac plane.
  1. Download: Download high-res image (355KB)
  2. Download: Download full-size image
2-Amino-5-oxo-4 - (thio-phen-2-yl) 5、6、7,8-tetra-hydro-4H-chromene-3-carbo-nitrile。
标题化合物C14H12N2O2S的晶体结构揭示了不对称单元内的两个对称独立分子。每个分子包含一个与2-噻吩环、氰基和氨基相连的染色体核。发现不对称单元中有一个分子的2-噻吩环在两个位置上无序,主组分的位置占用系数为0.837(2)。2-噻吩环与熔合的4h -吡喃环几乎正交,两组平面的二面角分别为89.5(5)°和89.63(8)°。分子间氢键,涉及N- h⋯N和N- h⋯O相互作用,产生两个不同的基序,导致沿晶体ac平面形成二维超分子网络。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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CiteScore
0.30
自引率
0.00%
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