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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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Autor principal: Han, L.-J.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
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.
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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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