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N′-[(E)-4-Chlorobenzylidene]-2-(4-isobutylphenyl)propanohydrazide
The asymmetric unit of title compound, C(20)H(23)ClN(2)O, consists of two crystallographically independent molecules (A and B) in which the orientations of the 4-isobutylphenyl units are different. The isobutyl group of molecule B is disordered over two positions with occupancies of 0.850 (5) and...
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/PMC2969596/ https://www.ncbi.nlm.nih.gov/pubmed/21583068 http://dx.doi.org/10.1107/S1600536809015906 |
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author | Fun, Hoong-Kun Yeap, Chin Sing Sujith, K. V. Kalluraya, B. |
author_facet | Fun, Hoong-Kun Yeap, Chin Sing Sujith, K. V. Kalluraya, B. |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | The asymmetric unit of title compound, C(20)H(23)ClN(2)O, consists of two crystallographically independent molecules (A and B) in which the orientations of the 4-isobutylphenyl units are different. The isobutyl group of molecule 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 molecule A and 89.38 (9)° in molecule B. The independent molecules are linked together into chains along [100] by N—H⋯O and C—H⋯O hydrogen bonds, and by C—H⋯π interactions. 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. |
format | Text |
id | pubmed-2969596 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29695962010-12-30 N′-[(E)-4-Chlorobenzylidene]-2-(4-isobutylphenyl)propanohydrazide Fun, Hoong-Kun Yeap, Chin Sing Sujith, K. V. Kalluraya, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of title compound, C(20)H(23)ClN(2)O, consists of two crystallographically independent molecules (A and B) in which the orientations of the 4-isobutylphenyl units are different. The isobutyl group of molecule 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 molecule A and 89.38 (9)° in molecule B. The independent molecules are linked together into chains along [100] by N—H⋯O and C—H⋯O hydrogen bonds, and by C—H⋯π interactions. 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. International Union of Crystallography 2009-05-07 /pmc/articles/PMC2969596/ /pubmed/21583068 http://dx.doi.org/10.1107/S1600536809015906 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 Yeap, Chin Sing Sujith, K. V. Kalluraya, B. N′-[(E)-4-Chlorobenzylidene]-2-(4-isobutylphenyl)propanohydrazide |
title |
N′-[(E)-4-Chlorobenzylidene]-2-(4-isobutylphenyl)propanohydrazide |
title_full |
N′-[(E)-4-Chlorobenzylidene]-2-(4-isobutylphenyl)propanohydrazide |
title_fullStr |
N′-[(E)-4-Chlorobenzylidene]-2-(4-isobutylphenyl)propanohydrazide |
title_full_unstemmed |
N′-[(E)-4-Chlorobenzylidene]-2-(4-isobutylphenyl)propanohydrazide |
title_short |
N′-[(E)-4-Chlorobenzylidene]-2-(4-isobutylphenyl)propanohydrazide |
title_sort | n′-[(e)-4-chlorobenzylidene]-2-(4-isobutylphenyl)propanohydrazide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969596/ https://www.ncbi.nlm.nih.gov/pubmed/21583068 http://dx.doi.org/10.1107/S1600536809015906 |
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