STRUCTURE OF 5-BENZYLAMINO-1-METHYL-4-NITROIMIDAZOLE

Authors
DEBONDT HL BLATON NM PEETERS OM DERANTER CJ
Citation
Hl. Debondt et al., STRUCTURE OF 5-BENZYLAMINO-1-METHYL-4-NITROIMIDAZOLE, Acta crystallographica. Section C, Crystal structure communications, 49, 1993, pp. 763-765
Citations number
13
Categorie Soggetti
Crystallography
Journal title
Acta crystallographica. Section C, Crystal structure communications → ACNP
ISSN journal
01082701
Volume
49
Year of publication
1993
Part
4
Pages
763 - 765
Database
ISI
SICI code
0108-2701(1993)49:<763:SO5>2.0.ZU;2-G
Abstract
C11H12N4O2, M(r) = 232.24, orthorhombic, Pbca, a = 6.962 (4), b = 13.7 54 (7), c = 22.974 (12) angstrom, V = 2200 (2) angstrom3, Z = 8, D(m) = 1.40, D(x) = 1.402 Mg m-3 graphite-monochromated Cu Kalpha radiation , lambda = 1.54178 angstrom, mu = 0.794 mm-1, F(000) = 976, T = 293K, final R = 0.035 for 1143 unique observed [F greater-than-or-equal-to 4 sigma(F)] reflections. The phenyl ring and the nitro group make angles of 50.8 and 3.6-degrees, respectively, to the imidazole ring. An inte rmolecular hydrogen bond exists parallel to the b axis.