Abstract
In the title hydrate, C19H26ClN3O4·H2O, the imidazole ring is nearly perpendicular [dihedral angle = 89.5 (1)°] to the dihydropyridine moiety. The propyl and one of the ethyl groups are disordered over two resolved sets of sites [occupancy factors 0.524 (8):0.476 (8) and 0.640 (16):0.360 (16), respectively]. In the crystal, a three-dimensional network is constructed by O—H...O, N—H...O and N—H...N hydrogen bonds involving both the main molecule and the water molecule of crystallization, as well as C—H...π(ring) interactions.
Highlights
In the title hydrate, C19H26ClN3O4ÁH2O, the imidazole ring is nearly perpendicular [dihedral angle = 89.5 (1)] to the dihydropyridine moiety
A three-dimensional network is constructed by O—HÁ Á ÁO, N— HÁ Á ÁO and N—HÁ Á ÁN hydrogen bonds involving both the main molecule and the water molecule of crystallization, as well as C—HÁ Á Á(ring) interactions
Detail of the chain formed by N—HÁ Á ÁN hydrogen bonds and the surrounding sets of O—HÁ Á ÁO bonded water molecules [Symmetry codes: (i) x, 1 + y, z; (ii) 1 + y, 1 À x, 1 4
Summary
Hantzsch 1,4-dihydropyridine derivatives are important components of several commonly used drugs (Sharma & Singh, 2017). The crystal structures of several 1,4dihydropyridine derivatives have been reported (Jasinski et al, 2013). As part of our studies in this area, a new imidazole-dihydropyridine derivative has been synthesized and its crystal structure is reported here, Fig. 1. The ring adopts a shallow boat conformation with N1 and C3 deviating by 0.155 (5) and 0.315 (6) A , respectively, from the C1/C2/C4/C5 plane towards the imidazole group. Detail of the chain formed by N—HÁ Á ÁN hydrogen bonds (light-blue dashed lines) and the surrounding sets of O—HÁ Á ÁO bonded (red dashed lines) water molecules [Symmetry codes: (i) x, 1 + y, z; (ii) 1 + y, 1 À x,. C19H26ClN3O4ÁH2O 413.89 Tetragonal, P43 200 8.5308 (11), 31.893 (4) 2321.0 (7) 4 Mo K 0.20 0.34 Â 0.29 Â 0.20
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