Abstract
2-n-Butyl-5-chloro-3H-imidazole-4-carbaldehyde (BCIC), C 8 H 11 ClN 2 O. F.W.=186.64, monoclinic, P2 1 /c, a=7.2617(3) Å, b=13.2067(6) Å, c=9.8491(4) Å g =101.76(1), V=924.74(7) Å 3 , Z=4, D cal =1.341 Mgm m 3 , w =0.367 mm m 1 , F 000 =392, u (MoK f )=0.71073 Å, final R1 and wR2 are 0.049 and 0.126, respectively. 2-n-Butyl-4-chloro-1 [(2'-cyanobiphenyl-4-yl)methyl]-5-hydroxymethyl imidazole (BCCI), C 22 H 22 ClN 3 O, F.W.=379.88, triclinic, P 1¯, a=8.198(2) Å, b=10.997(3) Å, c=11.524(2) Å, f =90.83(2), g =94.31(2), n =109.45(2), V=976.0(2) Å 3 , Z=2, D cal =1.293 Mgm m 3 , w =1.856 mm m 1 , F 000 =400, u (CuK f )=1.5418 Å, final R1 and wR2 are 0.081 and 0.239, respectively. The imidazole ring in both the molecules is planar. The n-butyl group adopts a bent conformation in BCIC where it is in extended conformation in BCCI. The biphenyl ring system orients at an angle of 45.1(1) in BCCI. The molecules are stabilized by N-H…N and O-H…N type hydrogen bonds in addition to van der Waals forces.
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