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N'-[(E)-4-Chloro-benzyl-idene]-2-(4-isobutyl-phen-yl)propanohydrazide.

作者信息

Fun Hoong-Kun, Yeap Chin Sing, Sujith K V, Kalluraya B

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 May 7;65(Pt 6):o1196-7. doi: 10.1107/S1600536809015906.

DOI:10.1107/S1600536809015906
PMID:21583068
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969596/
Abstract

The asymmetric unit of title compound, C(20)H(23)ClN(2)O, consists of two crystallographically independent mol-ecules (A and B) in which the orientations of the 4-isobutyl-phenyl units are different. The isobutyl group of mol-ecule B is disordered over two positions with occupancies of 0.850 (5) and 0.150 (5). The dihedral angle between the two benzene rings is 88.70 (9)° in mol-ecule A and 89.38 (9)° in mol-ecule B. The independent mol-ecules are linked together into chains along [100] by N-H⋯O and C-H⋯O hydrogen bonds, and by C-H⋯π inter-actions. In the chain, N-H⋯O and C-H⋯O hydrogen bonds generate R(2) (1)(6) ring motifs. In addition, C-H⋯N hydrogen bonds are observed. The presence of pseudosymmetry in the structure suggests the higher symmetry space group Pbca but attempts to refine the structure in this space group resulted in high R (0.119) and wR (0.296) values.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6381/2969596/6cb161c7409e/e-65-o1196-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6381/2969596/ea07bba2ed50/e-65-o1196-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6381/2969596/6cb161c7409e/e-65-o1196-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6381/2969596/ea07bba2ed50/e-65-o1196-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6381/2969596/6cb161c7409e/e-65-o1196-fig2.jpg

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