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5,12-Dimethyl-pyrazino-[1,2-a:4,5-a']dibenzimidazole-5,12-diium dichloride dihydrate.

ABSTRACT: The title hydrated salt, C18H18N4(2+)·2Cl(-)·2H2O, sits about an inversion centre, such that the asymmetric unit contains one half-mol-ecule. In the crystal, hydrogen bonds occur between the water mol-ecules and chloride anions, and there is π-π stacking of the benzene and imidazole rings of inversion-related pairs of mol-ecules, with a centroid-centroid distance of 3.704 (17) Å.

SUBMITTER: Han J

PROVIDER: S-EPMC3588989 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

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5,12-Dimethyl-pyrazino-[1,2-a:4,5-a']dibenzimidazole-5,12-diium dichloride dihydrate.

Han Jie J Zhao Ming-Gao MG Zhang Jun J Ma Lan L Fan Guang G

Acta crystallographica. Section E, Structure reports online 20121124 Pt 12

The title hydrated salt, C18H18N4(2+)·2Cl(-)·2H2O, sits about an inversion centre, such that the asymmetric unit contains one half-mol-ecule. In the crystal, hydrogen bonds occur between the water mol-ecules and chloride anions, and there is π-π stacking of the benzene and imidazole rings of inversion-related pairs of mol-ecules, with a centroid-centroid distance of 3.704 (17) Å. ...[more]

PMID: 23476225

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