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1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene–4-aminobenzenesulfonic acid–water (1/2/2)
The asymmetric unit of the title compound, C(12)H(14)N(4)·2C(6)H(7)NO(3)S·2H(2)O, contains one half of a centrosymmetric 1,4-bis(4,5-dihydro-1H-imidazol-2-yl)benzene (bib) molecule, one 4-aminobenzenesulfonic acid molecule and one water molecule. In the bib molecule, the imidazole ring adopts an...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969902/ https://www.ncbi.nlm.nih.gov/pubmed/21577622 http://dx.doi.org/10.1107/S1600536809032504 |
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author | Shang, Shao-Ming Ren, Chun-Xia Wang, Xin Lu, Lu-De Yang, Xu-Jie |
author_facet | Shang, Shao-Ming Ren, Chun-Xia Wang, Xin Lu, Lu-De Yang, Xu-Jie |
author_sort | Shang, Shao-Ming |
collection | PubMed |
description | The asymmetric unit of the title compound, C(12)H(14)N(4)·2C(6)H(7)NO(3)S·2H(2)O, contains one half of a centrosymmetric 1,4-bis(4,5-dihydro-1H-imidazol-2-yl)benzene (bib) molecule, one 4-aminobenzenesulfonic acid molecule and one water molecule. In the bib molecule, the imidazole ring adopts an envelope conformation. The benzene rings of bib and 4-aminobenzenesulfonic acid are oriented at a dihedral angle of 21.89 (4)°. In the crystal structure, intermolecular N—H⋯O, O—H⋯N and O—H⋯O interactions link the molecules into a three-dimensional network. Weak π–π contacts between the benzene and imidazole rings and between the benzene rings [centroid–centroid distances = 3.895 (1) and 3.833 (1) Å, respectively] may further stabilize the structure. |
format | Text |
id | pubmed-2969902 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29699022010-12-30 1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene–4-aminobenzenesulfonic acid–water (1/2/2) Shang, Shao-Ming Ren, Chun-Xia Wang, Xin Lu, Lu-De Yang, Xu-Jie Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(12)H(14)N(4)·2C(6)H(7)NO(3)S·2H(2)O, contains one half of a centrosymmetric 1,4-bis(4,5-dihydro-1H-imidazol-2-yl)benzene (bib) molecule, one 4-aminobenzenesulfonic acid molecule and one water molecule. In the bib molecule, the imidazole ring adopts an envelope conformation. The benzene rings of bib and 4-aminobenzenesulfonic acid are oriented at a dihedral angle of 21.89 (4)°. In the crystal structure, intermolecular N—H⋯O, O—H⋯N and O—H⋯O interactions link the molecules into a three-dimensional network. Weak π–π contacts between the benzene and imidazole rings and between the benzene rings [centroid–centroid distances = 3.895 (1) and 3.833 (1) Å, respectively] may further stabilize the structure. International Union of Crystallography 2009-08-22 /pmc/articles/PMC2969902/ /pubmed/21577622 http://dx.doi.org/10.1107/S1600536809032504 Text en © Shang et al. 2009 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 Shang, Shao-Ming Ren, Chun-Xia Wang, Xin Lu, Lu-De Yang, Xu-Jie 1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene–4-aminobenzenesulfonic acid–water (1/2/2) |
title | 1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene–4-aminobenzenesulfonic acid–water (1/2/2) |
title_full | 1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene–4-aminobenzenesulfonic acid–water (1/2/2) |
title_fullStr | 1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene–4-aminobenzenesulfonic acid–water (1/2/2) |
title_full_unstemmed | 1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene–4-aminobenzenesulfonic acid–water (1/2/2) |
title_short | 1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene–4-aminobenzenesulfonic acid–water (1/2/2) |
title_sort | 1,4-bis(4,5-dihydro-1h-imidazol-2-yl)benzene–4-aminobenzenesulfonic acid–water (1/2/2) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969902/ https://www.ncbi.nlm.nih.gov/pubmed/21577622 http://dx.doi.org/10.1107/S1600536809032504 |
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