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Ethane-1,2-diaminium bis-{5-[4-(1H-tetra-zol-5-yl)phen-yl]tetra-zolide} dihydrate.

ABSTRACT: In the two anions of the title salt, C(2)H(10)N(2) (2+)·2C(8)H(5)N(8) (-)·2H(2)O, the central aromatic rings make dihedral angles of 13.53?(6) and 6.53?(7)° with the deprotonated tetra-zole rings, and 11.39?(6) and 10.41?(9)° with the other tetra-zole groups. In the crystal, the cations, anions and water mol-ecules are linked by an extensive O-H?N, N-H?O and N-H?N hydrogen-bond network into two-dimensional wave-like duplex sheets extending parallel to the bc plane. ?-? stacking inter-actions between benzene rings [inter-centroid distances are 3.8482?(4) and 3.9621?(5)?Å] and between tetra-zole rings [inter-centroid distances are 3.4350?(4) and 3.7169?(4)?Å] further consolidate the crystal structure.

SUBMITTER: Li CR

PROVIDER: S-EPMC3200657 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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Ethane-1,2-diaminium bis-{5-[4-(1H-tetra-zol-5-yl)phen-yl]tetra-zolide} dihydrate.

Li Chun-Rong CR Xia Zheng-Qiang ZQ

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

In the two anions of the title salt, C(2)H(10)N(2) (2+)·2C(8)H(5)N(8) (-)·2H(2)O, the central aromatic rings make dihedral angles of 13.53 (6) and 6.53 (7)° with the deprotonated tetra-zole rings, and 11.39 (6) and 10.41 (9)° with the other tetra-zole groups. In the crystal, the cations, anions and water mol-ecules are linked by an extensive O-H⋯N, N-H⋯O and N-H⋯N hydrogen-bond network into two-dimensional wave-like duplex sheets extending parallel to the bc plane. π-π stacking inter-actions bet ...[more]

PMID: 22059036

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