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Redetermination of (E)-N,N′-bis(4-bromophenyl)formamidine
In comprison with the previous structural study [Anulewicz et al. (1991 ▶). Pol. J. Chem. 65, 465–471], for which only the coordinates of all non-H atoms and of some H atoms were reported, the current redetermination of the title compound, C(13)H(10)Br(2)N(2), additionally reports anisotropic displa...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089148/ https://www.ncbi.nlm.nih.gov/pubmed/21754467 http://dx.doi.org/10.1107/S1600536811013419 |
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author | Han, L.-J. |
author_facet | Han, L.-J. |
author_sort | Han, L.-J. |
collection | PubMed |
description | In comprison with the previous structural study [Anulewicz et al. (1991 ▶). Pol. J. Chem. 65, 465–471], for which only the coordinates of all non-H atoms and of some H atoms were reported, the current redetermination of the title compound, C(13)H(10)Br(2)N(2), additionally reports anisotropic displacement parameters for all non-H atoms and the coordinates of all H atoms, accompanied by higher accuracy of the geometric parameters. Two independent half-molecules are present in the asymmetric unit, which are completed by a twofold rotation axis as symmetry element. In the crystal, intermolecular N—H⋯N hydrogen bonds link the molecules into dimers. Linear chains parallel to [102] are formed by intermolecular Br⋯Br interactions of 3.4328 (7) Å between two Br atoms of adjacent molecules. The dihedral angles between the benzene rings are 50.05 (15) and 75.61 (11)° in the two independent molecules. Owing to the twofold symmetry of the molecules, H atoms attached to the N atoms are only half-occupied, leading to them being disordered over two positions of equal occupancy. |
format | Text |
id | pubmed-3089148 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30891482011-07-13 Redetermination of (E)-N,N′-bis(4-bromophenyl)formamidine Han, L.-J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In comprison with the previous structural study [Anulewicz et al. (1991 ▶). Pol. J. Chem. 65, 465–471], for which only the coordinates of all non-H atoms and of some H atoms were reported, the current redetermination of the title compound, C(13)H(10)Br(2)N(2), additionally reports anisotropic displacement parameters for all non-H atoms and the coordinates of all H atoms, accompanied by higher accuracy of the geometric parameters. Two independent half-molecules are present in the asymmetric unit, which are completed by a twofold rotation axis as symmetry element. In the crystal, intermolecular N—H⋯N hydrogen bonds link the molecules into dimers. Linear chains parallel to [102] are formed by intermolecular Br⋯Br interactions of 3.4328 (7) Å between two Br atoms of adjacent molecules. The dihedral angles between the benzene rings are 50.05 (15) and 75.61 (11)° in the two independent molecules. Owing to the twofold symmetry of the molecules, H atoms attached to the N atoms are only half-occupied, leading to them being disordered over two positions of equal occupancy. International Union of Crystallography 2011-04-16 /pmc/articles/PMC3089148/ /pubmed/21754467 http://dx.doi.org/10.1107/S1600536811013419 Text en © L.-J. Han 2011 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 Han, L.-J. Redetermination of (E)-N,N′-bis(4-bromophenyl)formamidine |
title | Redetermination of (E)-N,N′-bis(4-bromophenyl)formamidine |
title_full | Redetermination of (E)-N,N′-bis(4-bromophenyl)formamidine |
title_fullStr | Redetermination of (E)-N,N′-bis(4-bromophenyl)formamidine |
title_full_unstemmed | Redetermination of (E)-N,N′-bis(4-bromophenyl)formamidine |
title_short | Redetermination of (E)-N,N′-bis(4-bromophenyl)formamidine |
title_sort | redetermination of (e)-n,n′-bis(4-bromophenyl)formamidine |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089148/ https://www.ncbi.nlm.nih.gov/pubmed/21754467 http://dx.doi.org/10.1107/S1600536811013419 |
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