The structure of the title compound consisting of N,N-1,3-dibenzyl-benzimidazole ion, Cl- anion and hydrate was determined by X-ray diffraction method. It crystallizes in the triclinic system, space group P with a = 9...The structure of the title compound consisting of N,N-1,3-dibenzyl-benzimidazole ion, Cl- anion and hydrate was determined by X-ray diffraction method. It crystallizes in the triclinic system, space group P with a = 9.320(2), b = 9.850(2), c = 11.510(2) ? = 68.75(3), = 80.57(3), = 70.20(3)? C21H19ClN2H2O, Mr = 352.85, V = 925.6(3) 3, Z = 2, Dc = 1.266 g/cm3, F(000) = 372, = 0.217 mm-1, R = 0.0452 and wR = 0.1372. The total reflections were 3462 and 3244 (Rint = 0.0206) were independent, of which 1666 were observed with I > 2s(I). The planes of benzyl group are nearly perpendicular to each other. The water molecules with Cl-anions and C(8) atom are involved in hydrogen bonds and interactions, and - stacking interaction exists obviously between the adjacent phenyl and imidazole rings. The title complex forms a three-dimensional network throughout the structure through these hydrogen bonds and interactions.展开更多
基金The project was supported by the Educational Administration Key Project of Shandong province (No. J01C05) and Natural Science Foundation of Shandong province (No.Y2002B06)
文摘The structure of the title compound consisting of N,N-1,3-dibenzyl-benzimidazole ion, Cl- anion and hydrate was determined by X-ray diffraction method. It crystallizes in the triclinic system, space group P with a = 9.320(2), b = 9.850(2), c = 11.510(2) ? = 68.75(3), = 80.57(3), = 70.20(3)? C21H19ClN2H2O, Mr = 352.85, V = 925.6(3) 3, Z = 2, Dc = 1.266 g/cm3, F(000) = 372, = 0.217 mm-1, R = 0.0452 and wR = 0.1372. The total reflections were 3462 and 3244 (Rint = 0.0206) were independent, of which 1666 were observed with I > 2s(I). The planes of benzyl group are nearly perpendicular to each other. The water molecules with Cl-anions and C(8) atom are involved in hydrogen bonds and interactions, and - stacking interaction exists obviously between the adjacent phenyl and imidazole rings. The title complex forms a three-dimensional network throughout the structure through these hydrogen bonds and interactions.
