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Crystal and molecular structure of 5,6‐diphenyl‐2‐(α‐formyl‐benzyliden)‐2H‐thiopyranes
Author(s) -
Sieler J.,
Richter R.,
Pulst M.,
Leban I.
Publication year - 1987
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.2170220313
Subject(s) - monoclinic crystal system , intramolecular force , crystallography , crystal structure , molecule , chemistry , crystal (programming language) , group (periodic table) , solid state , stereochemistry , organic chemistry , computer science , programming language
The crystal and molecular structure of the title compound has been determined by X‐ray diffraction techniques. It crystallizes in the monoclinic space group P2 1 /n with cell parameters a = 6.101(3) Å, b = 14.365(6) Å, c = 21.888(7) Å, β = 90.20(4)°, Z = 4. The structure was solved by direct methods and refined by least‐squares calculations to an R value of 0.074. The molecule exists in solid state in the Z configuration. The very short intramolecular OS distance of 2.654(8) Å can be explained with polar interactions between the O and S atoms.