2-hydroxy-4,4-dimethyl-2-(4-tolyl)-morpholinium bromide

Acta Crystallogr C. 1992 Dec 15:48 ( Pt 12):2231-3. doi: 10.1107/s0108270192003913.

Abstract

C13H20NO2+.Br-, M(r) = 302.2, monoclinic, P2(1)/c, a = 8.697 (2), b = 12.741 (3), c = 12.940 (2) A, beta = 103.39 (2) degrees, V = 1394.9 (8) A3, Z = 4, Dx = 1.439 g cm-3, lambda (Mo K alpha) = 0.71073 A, mu = 29.1 cm-1, F(000) = 624, T = 296 K, R = 0.038 for 1662 observations with I > 2 sigma (I) (of 2460 unique data). The morpholinium ring adopts the chair conformation with endocyclic torsion angle magnitudes 49.1 (4)-61.9 (4) degrees. The hydroxyl group is in the axial position of the morpholinium ring, with C--OH bond distance 1.401 (4) A. The hydroxy H atom points towards a Br ion; the interaction has O...Br distance 3.292 (2) A, H...Br distance 2.61 (3) A, and angle at H 160 (4) degrees.

Publication types

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

MeSH terms

  • Molecular Structure
  • Morpholines / chemistry*
  • X-Ray Diffraction

Substances

  • Morpholines
  • 2-hydroxy-4,4-dimethyl-2-(4-tolyl)morpholinium