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1,1'-(4-Oxoheptane-1,7-di-yl)bis-(2-methyl-1H-benzimidazole) penta-hydrate.

ABSTRACT: The title compound, C(23)H(26)N(4)O·5H(2)O, has noncrystallographic twofold rotation symmetry in the solid state. It crystallizes with five solvent water mol-ecules in the asymmetric unit. Four of these water mol-ecules are connected with each other via hydrogen-bonding inter-actions to form two types of centrosymmetric hexa-meric (H(2)O)(6) rings. Via edge sharing of the hexa-mers, the water clusters thus build infinite chains that stretch parallel to the a axis. The fifth water mol-ecule provides an additional connection between the two hexa-meric (H(2)O)(6) units via hydrogen bonds to both rings. The water mol-ecules in the channels along the a axis are also bonded via O-H?N hydrogen bonds to the organic units, and face-to-face ?-? inter-actions [with centroid-to-centroid distances of 3.656?(1)?Å and average face-to-face distances of 3.431?(5)?Å] between the aromatic rings of adjacent mol-ecules complete the inter-molecular inter-actions in this structure.

SUBMITTER: Zhang LP 

PROVIDER: S-EPMC2915212 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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1,1'-(4-Oxoheptane-1,7-di-yl)bis-(2-methyl-1H-benzimidazole) penta-hydrate.

Zhang Lai-Ping LP   Liu Ying-Ying YY   Jia Zhi-Fang ZF   Wei Guo-Hua GH  

Acta crystallographica. Section E, Structure reports online 20071206 Pt 1

The title compound, C(23)H(26)N(4)O·5H(2)O, has noncrystallographic twofold rotation symmetry in the solid state. It crystallizes with five solvent water mol-ecules in the asymmetric unit. Four of these water mol-ecules are connected with each other via hydrogen-bonding inter-actions to form two types of centrosymmetric hexa-meric (H(2)O)(6) rings. Via edge sharing of the hexa-mers, the water clusters thus build infinite chains that stretch parallel to the a axis. The fifth water mol-ecule provi  ...[more]

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