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


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?? 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.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC2969596 | biostudies-literature | 2009 May

REPOSITORIES: biostudies-literature

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

Fun Hoong-Kun HK   Yeap Chin Sing CS   Sujith K V KV   Kalluraya B B  

Acta crystallographica. Section E, Structure reports online 20090507 Pt 6


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  ...[more]

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