1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene–4-aminobenzenesulfonic acid–water (1/2/2)

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, C12H14N4·2C6H7NO3S·2H2O, 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 a...

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Main Authors: Shao-Ming Shang, Chun-Xia Ren, Xin Wang, Lu-De Lu, Xu-Jie Yang
Format: Article
Language:English
Published: International Union of Crystallography 2009-09-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536809032504
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spelling doaj-85f97eee4c3943a9b65bfecb4bc16c362020-11-24T21:30:48ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-09-01659o2221o222210.1107/S16005368090325041,4-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene–4-aminobenzenesulfonic acid–water (1/2/2)Shao-Ming ShangChun-Xia RenXin WangLu-De LuXu-Jie YangThe asymmetric unit of the title compound, C12H14N4·2C6H7NO3S·2H2O, 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. http://scripts.iucr.org/cgi-bin/paper?S1600536809032504
collection DOAJ
language English
format Article
sources DOAJ
author Shao-Ming Shang
Chun-Xia Ren
Xin Wang
Lu-De Lu
Xu-Jie Yang
spellingShingle Shao-Ming Shang
Chun-Xia Ren
Xin Wang
Lu-De Lu
Xu-Jie Yang
1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene–4-aminobenzenesulfonic acid–water (1/2/2)
Acta Crystallographica Section E
author_facet Shao-Ming Shang
Chun-Xia Ren
Xin Wang
Lu-De Lu
Xu-Jie Yang
author_sort Shao-Ming Shang
title 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_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_sort 1,4-bis(4,5-dihydro-1h-imidazol-2-yl)benzene–4-aminobenzenesulfonic acid–water (1/2/2)
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2009-09-01
description The asymmetric unit of the title compound, C12H14N4·2C6H7NO3S·2H2O, 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536809032504
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AT chunxiaren 14bis45dihydro1himidazol2ylbenzeneamp82114aminobenzenesulfonicacidamp8211water122
AT xinwang 14bis45dihydro1himidazol2ylbenzeneamp82114aminobenzenesulfonicacidamp8211water122
AT ludelu 14bis45dihydro1himidazol2ylbenzeneamp82114aminobenzenesulfonicacidamp8211water122
AT xujieyang 14bis45dihydro1himidazol2ylbenzeneamp82114aminobenzenesulfonicacidamp8211water122
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