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An orthorhombic polymorph of N (1),N (4)-diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine
A new orthorhombic polymorph of the title compound, C(30)H(24)N(4), with a density of 1.315 Mg m(−3), has been obtained. The molecule is centrosymmetric with the centroid of the cyclohexa-1,4-diene ring located on an inversion center. The two unique benzene rings are almost perpendicular to each...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998558/ https://www.ncbi.nlm.nih.gov/pubmed/24826185 http://dx.doi.org/10.1107/S1600536814006254 |
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author | Ohno, Keiji Fujihara, Takashi Nagasawa, Akira |
author_facet | Ohno, Keiji Fujihara, Takashi Nagasawa, Akira |
author_sort | Ohno, Keiji |
collection | PubMed |
description | A new orthorhombic polymorph of the title compound, C(30)H(24)N(4), with a density of 1.315 Mg m(−3), has been obtained. The molecule is centrosymmetric with the centroid of the cyclohexa-1,4-diene ring located on an inversion center. The two unique benzene rings are almost perpendicular to each other [dihedral angle = 86.70 (6)°] and are oriented at dihedral angles of 30.79 (5) and 68.07 (5)° with respect to the central cyclohexadiene ring. In the crystal, π–π stacking is observed between the central cyclohexa-1,4-diene-1,4-diamine unit and a phenyl ring of a neighboring molecule [centroid–centroid distance = 3.7043 (7) Å]. The crystal structure of the triclinic polymorph [Ohno et al. (2014 ▶). Acta Cryst. E70, o303–o304] showed chains running along the b-axis direction through weak C—H⋯π interactions. |
format | Online Article Text |
id | pubmed-3998558 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39985582014-05-13 An orthorhombic polymorph of N (1),N (4)-diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine Ohno, Keiji Fujihara, Takashi Nagasawa, Akira Acta Crystallogr Sect E Struct Rep Online Organic Papers A new orthorhombic polymorph of the title compound, C(30)H(24)N(4), with a density of 1.315 Mg m(−3), has been obtained. The molecule is centrosymmetric with the centroid of the cyclohexa-1,4-diene ring located on an inversion center. The two unique benzene rings are almost perpendicular to each other [dihedral angle = 86.70 (6)°] and are oriented at dihedral angles of 30.79 (5) and 68.07 (5)° with respect to the central cyclohexadiene ring. In the crystal, π–π stacking is observed between the central cyclohexa-1,4-diene-1,4-diamine unit and a phenyl ring of a neighboring molecule [centroid–centroid distance = 3.7043 (7) Å]. The crystal structure of the triclinic polymorph [Ohno et al. (2014 ▶). Acta Cryst. E70, o303–o304] showed chains running along the b-axis direction through weak C—H⋯π interactions. International Union of Crystallography 2014-03-29 /pmc/articles/PMC3998558/ /pubmed/24826185 http://dx.doi.org/10.1107/S1600536814006254 Text en © Ohno et al. 2014 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 Ohno, Keiji Fujihara, Takashi Nagasawa, Akira An orthorhombic polymorph of N (1),N (4)-diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine |
title | An orthorhombic polymorph of N
(1),N
(4)-diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine |
title_full | An orthorhombic polymorph of N
(1),N
(4)-diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine |
title_fullStr | An orthorhombic polymorph of N
(1),N
(4)-diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine |
title_full_unstemmed | An orthorhombic polymorph of N
(1),N
(4)-diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine |
title_short | An orthorhombic polymorph of N
(1),N
(4)-diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine |
title_sort | orthorhombic polymorph of n
(1),n
(4)-diphenyl-3,6-bis(phenylimino)cyclohexa-1,4-diene-1,4-diamine |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998558/ https://www.ncbi.nlm.nih.gov/pubmed/24826185 http://dx.doi.org/10.1107/S1600536814006254 |
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