Methyl 1-(4-chlorobenzyl)-2-(4-methylpiperazin-1-yl)-1H-benzimidazole-5-carboxylate hemihydrate

Citation
S. Ozcan et al., Methyl 1-(4-chlorobenzyl)-2-(4-methylpiperazin-1-yl)-1H-benzimidazole-5-carboxylate hemihydrate, ACT CRYST C, 56, 2000, pp. 459-460
Citations number
18
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
ISSN journal
01082701 → ACNP
Volume
56
Year of publication
2000
Part
4
Pages
459 - 460
Database
ISI
SICI code
0108-2701(200004)56:<459:M1>2.0.ZU;2-I
Abstract
The title compound, C21H23ClN4O2. 0.5H(2)O, contains two independent molecu les in the asymmetric unit. In each molecule the piperazine ring adopts a c hair conformation; the deviations of the piperazine N atoms from the best p lane through the remaining four C atoms are -0.678 (3) and 0.662 (3) Angstr om in molecule A, and 0.687 (3) and -0.700 (3) Angstrom in molecule B, The molecules are linked by two hydrogen bonds of the O-H ... N type involving the O atom of the water molecule of crystallization.