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4-{[(E)-2,3-二羟基苄叉基]氨基}-N-(5-甲基-1,2-恶唑-3-基)苯磺酰胺

4-{[(E)-2,3-Dihy-droxy-benzyl-idene]amino}-N-(5-methyl-1,2-oxazol-3-yl)benzene-sulfonamide.

作者信息

Tahir M Nawaz, Khan Abdul Haleem, Iqbal Mohammad S, Munir Christy, Aziz Tariq

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2125. doi: 10.1107/S1600536812026657. Epub 2012 Jun 16.

DOI:10.1107/S1600536812026657
PMID:22798801
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393936/
Abstract

In the title compound, C(17)H(15)N(3)O(5)S, the 2,3-dihy-droxy-benzaldehyde unit is oriented at a dihedral angles of 16.83 (10) and 78.87 (6)° with the anilinic and 5-methyl-1,2-oxazol-3-amine groups, respectively. An S(6) loop exists due to intramolecular O-H⋯N hydrogen bonding. In the crystal, inversion dimers with R(2) (2)(8) rings are formed due to N-H⋯N hydrogen bonding between the 5-methyl-1,2-oxazol-3-amine groups. These dimers are inter-linked by O-H⋯O hydrogen bonds, forming chains along [101] and resulting in R(2) (2)(26) rings. π-π inter-actions occur between the central benzene rings with a centroid-centroid distance of 3.7928 (16) Å.

摘要

在标题化合物C(17)H(15)N(3)O(5)S中，2,3-二羟基苯甲醛单元与苯胺基和5-甲基-1,2-恶唑-3-胺基团的二面角分别为16.83 (10)°和78.87 (6)°。由于分子内O-H⋯N氢键的存在，形成了一个S(6)环。在晶体中，由于5-甲基-1,2-恶唑-3-胺基团之间的N-H⋯N氢键，形成了具有R(2) (2)(8)环的反演二聚体。这些二聚体通过O-H⋯O氢键相互连接，沿[101]方向形成链状结构，从而形成R(2) (2)(26)环。中心苯环之间存在π-π相互作用，质心-质心距离为3.7928 (16) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/747d/3393936/8b4cf1e3bd78/e-68-o2125-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/747d/3393936/97ab6604a214/e-68-o2125-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/747d/3393936/8b4cf1e3bd78/e-68-o2125-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/747d/3393936/97ab6604a214/e-68-o2125-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/747d/3393936/8b4cf1e3bd78/e-68-o2125-fig2.jpg

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