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2-(2-Fur-yl)-1H-imidazo[4,5-f][1,10]phenanthroline-3,7-diium dichloride monohydrate.

ABSTRACT: The organic cation of the title salt, C(17)H(12)N(4)O(2+)·2Cl(-)·H(2)O, is nearly planar, the dihedral angle between two pyridine rings being 2.53?(16)° and that between the pyridinum and furan rings being 4.17?(19)°. Mol-ecules are linked via N-H?O, N-H?Cl and O-H?Cl hydrogen bonds, forming a three-dimensional framework and ?-? stacking inter-actions help to stabilize the crystal structure [the imidazole-pyridine and imidazole-benzene centroid-centroid distances are 3.501?(3) and 3.674?(3)?Å; respectively].

SUBMITTER: Chen MH

PROVIDER: S-EPMC2968264 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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2-(2-Fur-yl)-1H-imidazo[4,5-f][1,10]phenanthroline-3,7-diium dichloride monohydrate.

Chen Ming-Hua MH Zhang Yun-Qian YQ Zhu Qian-Jiang QJ Xue Sai-Feng SF Tao Zhu Z

Acta crystallographica. Section E, Structure reports online 20090117 Pt 2

The organic cation of the title salt, C(17)H(12)N(4)O(2+)·2Cl(-)·H(2)O, is nearly planar, the dihedral angle between two pyridine rings being 2.53 (16)° and that between the pyridinum and furan rings being 4.17 (19)°. Mol-ecules are linked via N-H⋯O, N-H⋯Cl and O-H⋯Cl hydrogen bonds, forming a three-dimensional framework and π-π stacking inter-actions help to stabilize the crystal structure [the imidazole-pyridine and imidazole-benzene centroid-centroid distances are 3.501 (3) and 3.674 (3) Å; r ...[more]

PMID: 21581942

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