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1,1'-Methyl-enedipyridinium dichloride monohydrate.

ABSTRACT: In the crystal structure of the title salt, C(11)H(12)N(2) (2+)·2Cl(-)·H(2)O, the dication adopts a butterfly shape [dihedral angle between rings = 69.0?(1)°] with the water mol-ecule lying in the V-shaped cavity. Each O-H bond of the water molecule lies parallel to an aromatic ring and forms an O-H?Cl inter-action to a chloride anion. The methyl-ene C atom in the dication and the water O atoms lie on special positions of twofold site symmetry.

SUBMITTER: Fu WZ 

PROVIDER: S-EPMC2979144 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

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1,1'-Methyl-enedipyridinium dichloride monohydrate.

Fu Wen-Zhen WZ   Wang Wei-Juan WJ   Niu Yun-Yin YY   Ng Seik Weng SW  

Acta crystallographica. Section E, Structure reports online 20100430 Pt 5

In the crystal structure of the title salt, C(11)H(12)N(2) (2+)·2Cl(-)·H(2)O, the dication adopts a butterfly shape [dihedral angle between rings = 69.0 (1)°] with the water mol-ecule lying in the V-shaped cavity. Each O-H bond of the water molecule lies parallel to an aromatic ring and forms an O-H⋯Cl inter-action to a chloride anion. The methyl-ene C atom in the dication and the water O atoms lie on special positions of twofold site symmetry. ...[more]

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