Structure of droperidol-ethanol (1/1).
1-(1-[4-(4-Fluorophenyl)-4-oxobutyl]-1,2,-3,6-tetrahydro-4-pyridyl)-1,3- dihydro-2H-benzimidazol-2-one ethanol solvate, C22H22FN3O2.C2H6O, Mr = 426.3, triclinic, P1, a = 6.083 (3), b = 10.296 (1), c = 16.018 (2) A, alpha = 100.93 (1), beta = 92.72 (2), gamma = 96.27 (2) degrees, V = 976.7 A3, Z = 2, Dx = 1.45 g cm-3, Mo K alpha, lambda = 0.71073 A, mu = 0.97 cm-1, F(000) = 452, T = 90 (2) K, final R = 0.046 for 2261 observed reflections. The title compound crystallizes with the droperidol skeleton extended and a solvated ethanol molecule disordered about an inversion center. The ethanol molecule forms a hydrogen bond to the droperidol skeleton at ketone atom O(1) on the imidazole ring.
Klein
C L
CL
Xavier University of Louisiana, Department of Chemistry, New Orleans 70125.
Welch
J
J
Southall
L C
LC
D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003460:Crystallization; D003461:Crystallography; D004329:Droperidol; D000431:Ethanol; D005583:Fourier Analysis; D015394:Molecular Structure
D000431:Ethanol; D004329:Droperidol