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N′-[(E)-4-Bromo­benzyl­idene]-2-(4-isobutyl­phen­yl)propanohydrazide

The asymmetric unit of the title compound, C(20)H(23)BrN(2)O, contains two independent mol­ecules (A and B), in which the orientations of the 4-isobutyl­phenyl units are different. The dihedral angle between the two benzene rings is 88.45 (8)° in mol­ecule A and 89.87 (8)° in mol­ecule B. Mol­ecules...

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Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Quah, Ching Kheng, Sujith, K. V., Kalluraya, B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969560/
https://www.ncbi.nlm.nih.gov/pubmed/21583058
http://dx.doi.org/10.1107/S1600536809015542
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author Fun, Hoong-Kun
Quah, Ching Kheng
Sujith, K. V.
Kalluraya, B.
author_facet Fun, Hoong-Kun
Quah, Ching Kheng
Sujith, K. V.
Kalluraya, B.
author_sort Fun, Hoong-Kun
collection PubMed
description The asymmetric unit of the title compound, C(20)H(23)BrN(2)O, contains two independent mol­ecules (A and B), in which the orientations of the 4-isobutyl­phenyl units are different. The dihedral angle between the two benzene rings is 88.45 (8)° in mol­ecule A and 89.87 (8)° in mol­ecule B. Mol­ecules A and B are linked by a C—H⋯N hydrogen bond. In the crystal, mol­ecules are linked into chains running along the a axis by inter­molcular N—H⋯O and C—H⋯O hydrogen bonds. The crystal structure is further stabilized by C—H⋯π inter­actions. The presence of pseudosymmetry in the structure suggests the higher symmetry space group Pbca. However, attempts to refine the structure in this space group resulted in a disorder model with high R (0.097) and wR (0.257) values. The crystal studied was an inversion twin with a 0.595 (4):0.405 (4) domain ratio.
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spelling pubmed-29695602010-12-30 N′-[(E)-4-Bromo­benzyl­idene]-2-(4-isobutyl­phen­yl)propanohydrazide Fun, Hoong-Kun Quah, Ching Kheng Sujith, K. V. Kalluraya, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(20)H(23)BrN(2)O, contains two independent mol­ecules (A and B), in which the orientations of the 4-isobutyl­phenyl units are different. The dihedral angle between the two benzene rings is 88.45 (8)° in mol­ecule A and 89.87 (8)° in mol­ecule B. Mol­ecules A and B are linked by a C—H⋯N hydrogen bond. In the crystal, mol­ecules are linked into chains running along the a axis by inter­molcular N—H⋯O and C—H⋯O hydrogen bonds. The crystal structure is further stabilized by C—H⋯π inter­actions. The presence of pseudosymmetry in the structure suggests the higher symmetry space group Pbca. However, attempts to refine the structure in this space group resulted in a disorder model with high R (0.097) and wR (0.257) values. The crystal studied was an inversion twin with a 0.595 (4):0.405 (4) domain ratio. International Union of Crystallography 2009-05-07 /pmc/articles/PMC2969560/ /pubmed/21583058 http://dx.doi.org/10.1107/S1600536809015542 Text en © Fun et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Fun, Hoong-Kun
Quah, Ching Kheng
Sujith, K. V.
Kalluraya, B.
N′-[(E)-4-Bromo­benzyl­idene]-2-(4-isobutyl­phen­yl)propanohydrazide
title N′-[(E)-4-Bromo­benzyl­idene]-2-(4-isobutyl­phen­yl)propanohydrazide
title_full N′-[(E)-4-Bromo­benzyl­idene]-2-(4-isobutyl­phen­yl)propanohydrazide
title_fullStr N′-[(E)-4-Bromo­benzyl­idene]-2-(4-isobutyl­phen­yl)propanohydrazide
title_full_unstemmed N′-[(E)-4-Bromo­benzyl­idene]-2-(4-isobutyl­phen­yl)propanohydrazide
title_short N′-[(E)-4-Bromo­benzyl­idene]-2-(4-isobutyl­phen­yl)propanohydrazide
title_sort n′-[(e)-4-bromo­benzyl­idene]-2-(4-isobutyl­phen­yl)propanohydrazide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969560/
https://www.ncbi.nlm.nih.gov/pubmed/21583058
http://dx.doi.org/10.1107/S1600536809015542
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