Powder X-ray investigation of 4,4′-diisocyano-3,3′-dimethyl­biphen­yl

The title compound, C(16)H(12)N(2), was investigated in a powder diffraction study and its structure refined utilizing the Rietveld Method. The mol­ecule has approximate C2 symmetry. The dihedral angle between the rings is 25.6 (7)°. The crystal packing is consolidated by weak C—H⋯C N hydrogen-bond-...

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Autores principales: Rukiah, Mwaffak, Al-Ktaifani, Mahmoud
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588545/
https://www.ncbi.nlm.nih.gov/pubmed/23476590
http://dx.doi.org/10.1107/S1600536813004315
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author Rukiah, Mwaffak
Al-Ktaifani, Mahmoud
author_facet Rukiah, Mwaffak
Al-Ktaifani, Mahmoud
author_sort Rukiah, Mwaffak
collection PubMed
description The title compound, C(16)H(12)N(2), was investigated in a powder diffraction study and its structure refined utilizing the Rietveld Method. The mol­ecule has approximate C2 symmetry. The dihedral angle between the rings is 25.6 (7)°. The crystal packing is consolidated by weak C—H⋯C N hydrogen-bond-like contacts, which lead to the formation of a three-dimensional network. Further stabilization of the crystal structure is achived by weak non-covalent π–π inter­actions between aromatic rings, with a centroid–centroid distance of 3.839 (8) Å.
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spelling pubmed-35885452013-03-08 Powder X-ray investigation of 4,4′-diisocyano-3,3′-dimethyl­biphen­yl Rukiah, Mwaffak Al-Ktaifani, Mahmoud Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(16)H(12)N(2), was investigated in a powder diffraction study and its structure refined utilizing the Rietveld Method. The mol­ecule has approximate C2 symmetry. The dihedral angle between the rings is 25.6 (7)°. The crystal packing is consolidated by weak C—H⋯C N hydrogen-bond-like contacts, which lead to the formation of a three-dimensional network. Further stabilization of the crystal structure is achived by weak non-covalent π–π inter­actions between aromatic rings, with a centroid–centroid distance of 3.839 (8) Å. International Union of Crystallography 2013-02-20 /pmc/articles/PMC3588545/ /pubmed/23476590 http://dx.doi.org/10.1107/S1600536813004315 Text en © Rukiah and Al-Ktaifani 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
Rukiah, Mwaffak
Al-Ktaifani, Mahmoud
Powder X-ray investigation of 4,4′-diisocyano-3,3′-dimethyl­biphen­yl
title Powder X-ray investigation of 4,4′-diisocyano-3,3′-dimethyl­biphen­yl
title_full Powder X-ray investigation of 4,4′-diisocyano-3,3′-dimethyl­biphen­yl
title_fullStr Powder X-ray investigation of 4,4′-diisocyano-3,3′-dimethyl­biphen­yl
title_full_unstemmed Powder X-ray investigation of 4,4′-diisocyano-3,3′-dimethyl­biphen­yl
title_short Powder X-ray investigation of 4,4′-diisocyano-3,3′-dimethyl­biphen­yl
title_sort powder x-ray investigation of 4,4′-diisocyano-3,3′-dimethyl­biphen­yl
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588545/
https://www.ncbi.nlm.nih.gov/pubmed/23476590
http://dx.doi.org/10.1107/S1600536813004315
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