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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...

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Autores principales: Shang, Shao-Ming, Ren, Chun-Xia, Wang, Xin, Lu, Lu-De, Yang, Xu-Jie
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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.
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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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