ELECTROSTATIC POTENTIALS FROM CHARGE-DENSITY STUDIES OF BENZAMIDE AT 123 K

Authors
Citation
Jr. Ruble et A. Galvao, ELECTROSTATIC POTENTIALS FROM CHARGE-DENSITY STUDIES OF BENZAMIDE AT 123 K, Acta crystallographica. Section B, Structural science, 51, 1995, pp. 835-838
Citations number
13
Categorie Soggetti
Crystallography
ISSN journal
01087681
Volume
51
Year of publication
1995
Part
5
Pages
835 - 838
Database
ISI
SICI code
0108-7681(1995)51:<835:EPFCSO>2.0.ZU;2-2
Abstract
C7H7NO, Mr = 121.14, monoclinic, P2(1)/c, a = 5.549 (1), b = 5.033 (1) , c = 21.548 (4)Angstrom, beta = 89.22 (1)degrees, V = 601.74 (1) Angs trom(3), D-x = 1.35 Mg m(-3), lambda(Mo K alpha) = 0.71069 Angstrom, m u = 0.086 mm(-1), F(000) = 256, T = 123 K, final R = 0.049, wR = 0.047 , S = 1.457 for 3527 reflections and 213 parameters, including multipo le electron-population parameters up to octapole for non-II atoms and quadrapole for H atoms.