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A second monoclinic polymorph of 4-[(E)-(4-benzyloxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
In the title compound, C(25)H(23)N(3)O(2), the central benzene ring makes dihedral angles of 77.14 (8) and 87.7 (2)° with the terminal benzene rings and an angle of 1.9 (1)° with the pyrazolone ring. The benzene ring and the N atom of the pyrazole ring bearing the phenyl substituent are disordered o...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588271/ https://www.ncbi.nlm.nih.gov/pubmed/23476378 http://dx.doi.org/10.1107/S1600536812050891 |
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author | Kant, Rajni Gupta, Vivek K. Kapoor, Kamini Nayak, Prakash S. Sarojini, B. K. Narayana, B. |
author_facet | Kant, Rajni Gupta, Vivek K. Kapoor, Kamini Nayak, Prakash S. Sarojini, B. K. Narayana, B. |
author_sort | Kant, Rajni |
collection | PubMed |
description | In the title compound, C(25)H(23)N(3)O(2), the central benzene ring makes dihedral angles of 77.14 (8) and 87.7 (2)° with the terminal benzene rings and an angle of 1.9 (1)° with the pyrazolone ring. The benzene ring and the N atom of the pyrazole ring bearing the phenyl substituent are disordered over two sets of sites with an occupancy ratio of 0.71 (2):0.29 (2). The N atoms of the pyrazole ring have a pyramidal environment, the sums of the valence angles around them being 354.6 (3) and 352.0 (6)/349.5 (15)°. In the crystal, molecules are packed into layers parallel to the ac plane. The other monoclinic polymorphic form was reported recently [Dutkiewicz et al. (2012 ▶). Acta Cryst. E68, o1324]. |
format | Online Article Text |
id | pubmed-3588271 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35882712013-03-08 A second monoclinic polymorph of 4-[(E)-(4-benzyloxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one Kant, Rajni Gupta, Vivek K. Kapoor, Kamini Nayak, Prakash S. Sarojini, B. K. Narayana, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(25)H(23)N(3)O(2), the central benzene ring makes dihedral angles of 77.14 (8) and 87.7 (2)° with the terminal benzene rings and an angle of 1.9 (1)° with the pyrazolone ring. The benzene ring and the N atom of the pyrazole ring bearing the phenyl substituent are disordered over two sets of sites with an occupancy ratio of 0.71 (2):0.29 (2). The N atoms of the pyrazole ring have a pyramidal environment, the sums of the valence angles around them being 354.6 (3) and 352.0 (6)/349.5 (15)°. In the crystal, molecules are packed into layers parallel to the ac plane. The other monoclinic polymorphic form was reported recently [Dutkiewicz et al. (2012 ▶). Acta Cryst. E68, o1324]. International Union of Crystallography 2012-12-19 /pmc/articles/PMC3588271/ /pubmed/23476378 http://dx.doi.org/10.1107/S1600536812050891 Text en © Kant et al. 2013 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 Kant, Rajni Gupta, Vivek K. Kapoor, Kamini Nayak, Prakash S. Sarojini, B. K. Narayana, B. A second monoclinic polymorph of 4-[(E)-(4-benzyloxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title | A second monoclinic polymorph of 4-[(E)-(4-benzyloxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title_full | A second monoclinic polymorph of 4-[(E)-(4-benzyloxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title_fullStr | A second monoclinic polymorph of 4-[(E)-(4-benzyloxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title_full_unstemmed | A second monoclinic polymorph of 4-[(E)-(4-benzyloxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title_short | A second monoclinic polymorph of 4-[(E)-(4-benzyloxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one |
title_sort | second monoclinic polymorph of 4-[(e)-(4-benzyloxybenzylidene)amino]-1,5-dimethyl-2-phenyl-1h-pyrazol-3(2h)-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588271/ https://www.ncbi.nlm.nih.gov/pubmed/23476378 http://dx.doi.org/10.1107/S1600536812050891 |
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