CRYSTAL AND MOLECULAR-STRUCTURE DETERMINATION OF N-N'-DIPHENYLACETAMIDINIUM TRIFLUOROACETATE

Authors
ONDRACEK J PAKHOMOVA S KRATOCHVIL B SMRCKOVA S
Citation
J. Ondracek et al., CRYSTAL AND MOLECULAR-STRUCTURE DETERMINATION OF N-N'-DIPHENYLACETAMIDINIUM TRIFLUOROACETATE, Collection of Czechoslovak Chemical Communications, 60(4), 1995, pp. 576-582
Citations number
15
Categorie Soggetti
Chemistry
Journal title
Collection of Czechoslovak Chemical Communications → ACNP
ISSN journal
00100765
Volume
60
Issue
4
Year of publication
1995
Pages
576 - 582
Database
ISI
SICI code
0010-0765(1995)60:4<576:CAMDON>2.0.ZU;2-S
Abstract
The structure of N,N'-diphenylacetamidinium trifluoroacetate - a model of the lactate dehydrogenase binding site - was solved by direct meth ods and anisotropically refined to R = 0.032 for 1 475 unique observed reflections. The compound crystallizes in the monoclinic space group P2(1)/m, a = 5.942(1), b = 17.256(2), c = 7.817(1) Angstrom, beta = 10 3.05(1)degrees, V = 780.8(1) Angstrom(3), Z = 2, D-calc = 1.38 g cm(-3 ),mu(MoK alpha) = 0.11 mm(-1), F(000) = 336.