Structure of exo, endo, exo, exo-2,3,5,6-tetrabromonorbornane

Citation
I. Celik et al., Structure of exo, endo, exo, exo-2,3,5,6-tetrabromonorbornane, Z KRISTALL, 214(7), 1999, pp. 410-412
Citations number
19
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ZEITSCHRIFT FUR KRISTALLOGRAPHIE
ISSN journal
00442968 → ACNP
Volume
214
Issue
7
Year of publication
1999
Pages
410 - 412
Database
ISI
SICI code
0044-2968(1999)214:7<410:SOEEEE>2.0.ZU;2-5
Abstract
The compound, C7H8Br4, crystallizes in the triclinic space group P (1) over bar with a = 6.280(2) Angstrom, b = 6.646(3) Angstrom, c = 12.385(6) Angst rom, alpha = 96.58(4)degrees, beta = 90.50(3)degrees, gamma = 101.10(2)degr ees, (V = 503.6(3) Angstrom(3), Z = 2, D-x = 2.715 Mgm(-3); Patterson metho d; 1542 hkl with I > 2 sigma(I); R = 0.048). The dihedral angles between the planar fragments C1-C2-C3(i)-C4(i) (A), C4( i)-C7-C1 (B) and C4(i)-C5-C6-C1(C) are 112.3(6)degrees, 124.5(8)degrees and 123.1(8)degrees for A-B, B-C and A-C, respectively. The deformations in th e six-membered rings induced by the different substituents and by the methy lene bridge show some difference with respect to the ideal values reported for a boat conformation. This difference reverberate on the internal torsio n angles (C1 to C6: -0.7(9)degrees, -69.2(9)degrees, 65.8(9)degrees, 7.0(8) degrees, -76.6(8)degrees and 72.1(8)degrees).