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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...

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Autores principales: Kant, Rajni, Gupta, Vivek K., Kapoor, Kamini, Nayak, Prakash S., Sarojini, B. K., Narayana, B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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].
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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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