Structure of droperidol-ethanol (1/1)

Acta Crystallogr C. 1989 Apr 15;45 ( Pt 4):650-3. doi: 10.1107/s0108270188013022.

Abstract

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.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Chemical Phenomena
  • Chemistry, Physical
  • Crystallization
  • Crystallography
  • Droperidol*
  • Ethanol*
  • Fourier Analysis
  • Molecular Structure

Substances

  • Ethanol
  • Droperidol