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Bis[2-(4-amino-phen-yl)-4,5-dihydro-1H-imidazol-3-ium] dichloride monohydrate.

ABSTRACT: The asymmetric unit of the title compound, 2C(9)H(12)N(3) (+)·2Cl(-)·H(2)O, comprises two mol-ecules, two chloride anions and one mol-ecule of crystal water. In the imidazolinium ring, the protonation contributes to delocalization of the positive charge over the two C-N bonds. Both chloride anions are acceptors of four hydrogen bonds in a flattened tetra-hedron environment. The donors are NH(2) groups, the NH groups of the imidazolinium rings and the water mol-ecule. These hydrogen bonds and N-H?O(H(2)O) hydrogen bonds form a three-dimensional network.

SUBMITTER: Molcanov K 

PROVIDER: S-EPMC3239081 | biostudies-other | 2011 Dec

REPOSITORIES: biostudies-other

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Bis[2-(4-amino-phen-yl)-4,5-dihydro-1H-imidazol-3-ium] dichloride monohydrate.

Molčanov Krešimir K   Stolić Ivana I   Kojić-Prodić Biserka B   Bajić Miroslav M  

Acta crystallographica. Section E, Structure reports online 20111125 Pt 12

The asymmetric unit of the title compound, 2C(9)H(12)N(3) (+)·2Cl(-)·H(2)O, comprises two mol-ecules, two chloride anions and one mol-ecule of crystal water. In the imidazolinium ring, the protonation contributes to delocalization of the positive charge over the two C-N bonds. Both chloride anions are acceptors of four hydrogen bonds in a flattened tetra-hedron environment. The donors are NH(2) groups, the NH groups of the imidazolinium rings and the water mol-ecule. These hydrogen bonds and N-H  ...[more]

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