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

• 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
• ISSN: 1600-5368

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.