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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2969560 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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