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Crystal structure of marmesin, C 14 H 14 O 4 , 2‐(β‐hydroxyisopropyl)‐2,3‐dihydro‐6,7‐furano‐coumarin
Author(s) -
ElKordy M.,
Farag I. S. Ahmed,
Will G.
Publication year - 1988
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170231210
Subject(s) - monoclinic crystal system , crystallography , crystal structure , molecule , anisotropy , crystal (programming language) , group (periodic table) , chemistry , unit (ring theory) , x ray crystallography , physics , mathematics , diffraction , optics , programming language , organic chemistry , computer science , mathematics education
The unit cell parameters of this compound were determined by least‐squares calculations from the adjusted angular setting of 25 general reflections. The crystals are monoclinic with the following crystallographic data: a = 5.718(1), b = 13.794(4), c = 7.861(1) Å, β = 100.53(2)°, Z = 2 and D x = 1.34 g · cm −3 . The space group according to the systematic absences is P2 1 . The structure of this compound was solved by direct methods and refined by full matrix least‐squares with anisotropic temperature factors to R = 0.04. The refined atomic positions indicate a considerable strain within the molecule. The structure is built up from molecules connected by H‐atoms forming infinite chains along b ‐axis.