Crystal structures of p-chlorobromobenzene and p-chloroiodobenzene

Citation
Ca. Meriles et al., Crystal structures of p-chlorobromobenzene and p-chloroiodobenzene, J MOL STRUC, 513(1-3), 1999, pp. 245-250
Citations number
12
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE
ISSN journal
00222860 → ACNP
Volume
513
Issue
1-3
Year of publication
1999
Pages
245 - 250
Database
ISI
SICI code
0022-2860(199912)513:1-3<245:CSOPAP>2.0.ZU;2-X
Abstract
1-Cl-4-Br-benzeue, ClBrC6H4, M-r=191.4 P2(1)/c, a=4.0238(6), b=5.8034(10), c=15.083(2), beta=112.23(1)degrees V = 326.03 Angstrom(3), Z = 2, D-x = 1.9 50 g cm(-3), lambda(Mo K alpha) = 0.71073 Angstrom, mu = 6.594 mm(-1), F(00 0) = 184, T = 220 K, final R = 0.046 for 980 observed reflections. 1-Cl-4-I-benzene, ClIC6H4, M-r = 238.4, P2(1)/c, a = 4.1762(4), b = 5.8814( 9), c = 15.790(2), beta = 113.42(1)degrees V= 355.88 Angstrom(3), Z = 2, D- x = 2.225 g cm(-3), lambda(Mo K alpha) = 0.71073 Angstrom, mu = 4.765 mm(-1 ), F(000) = 220, T = 230 K, final R = 0.041 for 1078 observed reflections. Both in PCBB and PCIB the centrosymmetric array is brought about by the sta tistical superposition of molecules occupying regular lattice sites but irr egularly pointing in opposite directions. Both systems share an isomorphic crystalline structure in which molecules are almost stacked along the a-axi s. (C) 1999 Elsevier Science B.V. All rights reserved.