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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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Detalles Bibliográficos
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
Descripción
Sumario: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.