STRUCTURE OF 5-BENZOYL-1-[4-(DIMETHYLAMINO)PHENYLMETHYLENEAMINO]-4-PHENYL-1H-PYRIMIDIN-2-ONE


AKKURT M. , HILLER W.

ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS, vol.49, pp.747-749, 1993 (Journal Indexed in SCI) identifier

  • Publication Type: Article / Article
  • Volume: 49
  • Publication Date: 1993
  • Doi Number: 10.1107/s0108270192005651
  • Title of Journal : ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
  • Page Numbers: pp.747-749

Abstract

C26H22N4O2, M(r) = 422.485, monoclinic, P2(1)/c, a = 9.564 (2), b = 11.305 (1), c = 20.389 (3) angstrom, beta = 91.27 (1)degrees, V = 2203.95 angstrom3, Z = 4, D(x) = 1.273 g cm-3 , lambda(Cu Kalpha) = 1.54184 angstrom, mu = 6.3 cm-1, F(000) = 888, T = 295 K, R = 0.050 for 2816 observed reflections. The pyrimidine ring is significantly non-planar, the angles between the planes of atoms N1, C6, C5 and C2, N3, C4 (using standard numbering for pyrimidines) is 7.5-degrees. In 1-amino-5-benzoyl-4-phenyl-1H-pyrimidine-2-thione, the corresponding angle is 0.74-degrees.