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

被引：11

作者：

RUBLE, JR ^{[1
]}

GALVAO, A ^{[1
]}

机构：

[1] CTR TECNOL QUIM & BIOL,P-2780 OEIRAS,PORTUGAL

来源：

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE | 1995年 / 51卷

关键词：

D O I：

10.1107/S0108768194014102

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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) Angstrom(3), D-x = 1.35 Mg m(-3), lambda(Mo K alpha) = 0.71069 Angstrom, mu = 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 multipole electron-population parameters up to octapole for non-II atoms and quadrapole for H atoms.

引用

页码：835 / 838

页数：4

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