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1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene-4-amino-benzene-sulfonic acid-water (1/2/2).

ABSTRACT: 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-amino-benzene-sulfonic acid molecule and one water mol-ecule. 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, inter-molecular N-H?O, O-H?N and O-H?O inter-actions link the mol-ecules into a three-dimensional network. Weak ?-? 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.

SUBMITTER: Shang SM

PROVIDER: S-EPMC2969902 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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1,4-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene-4-amino-benzene-sulfonic acid-water (1/2/2).

Shang Shao-Ming SM Ren Chun-Xia CX Wang Xin X Lu Lu-De LD Yang Xu-Jie XJ

Acta crystallographica. Section E, Structure reports online 20090822 Pt 9

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-amino-benzene-sulfonic acid molecule and one water mol-ecule. 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, inter-molecular N-H⋯O, O-H⋯N and O-H⋯O inter- ...[more]

PMID: 21577622

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