CRYSTAL-STRUCTURE OF A-ALPHA,5,6,7,7A-ALPHA-HEXAHYDRO-7-ALPHA-METHYL-5- OXOCYCLOPENTA[C]PYRAN-4-CARBOXYLIC ACID METHYL-ESTER (VERBENALIN)

Authors
RAJNIKANT,"LAL M GUPTA VK SINGH A SURI OP
Citation
M. Rajnikant,"lal et al., CRYSTAL-STRUCTURE OF A-ALPHA,5,6,7,7A-ALPHA-HEXAHYDRO-7-ALPHA-METHYL-5- OXOCYCLOPENTA[C]PYRAN-4-CARBOXYLIC ACID METHYL-ESTER (VERBENALIN), Crystallography reports, 43(3), 1998, pp. 448-453
Citations number
11
Categorie Soggetti
Crystallography
Journal title
Crystallography reports → ACNP
ISSN journal
10637745
Volume
43
Issue
3
Year of publication
1998
Pages
448 - 453
Database
ISI
SICI code
1063-7745(1998)43:3<448:COA>2.0.ZU;2-D
Abstract
The crystal structure of verbenalin (C17H24O10) is determined by X-ray diffraction analysis (diffractometer, lambda CuKalpha = 1.5418 Angstr om, number of observed reflections = 1881, R = 0.035). The crystals ar e monoclinic, a = 5.765(1), b = 8.215(1), and c = 19.538(4) Angstrom; beta = 91.1(1)degrees; V= 916.1 Angstrom(3); sp. gr. P2(1); and Z= 2. Conformation of various rings of the molecule is worked out. The molec ules in the structure are linked together by intra- and intermolecular O-H ... O and C-H ... O hydrogen bonds.