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The Crystal and Molecular Structure of 11‐Chloro‐3,8‐Methano‐[11] Annulenone
Author(s) -
Beddoes R. L.,
Mills O. S.
Publication year - 1972
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.197200048
Subject(s) - chemistry , monoclinic crystal system , bond length , crystal (programming language) , crystallography , alternation (linguistics) , molecule , crystal structure , stereochemistry , organic chemistry , linguistics , philosophy , computer science , programming language
The crystal structure of a benzhomotropone, 11‐chloro‐3,8‐methano‐[11] annulenone, has been solved and refined to R = 4.5%. The crystals are monoclinic, a = 6.854, b = 7.681, c = 19.324 Å, β = 108.54°, spacegroup P2 1 /c. The molecule exhibits alternation of bond lengths with evidence of slight π ‐electron delocalisation. Principal bond lengths are CC(mean) 1.344, CC(mean) 1.442, CCl 1.748 and CO 1.231 Å