The Crystal and Molecular Structures of Two Stereoisomers of δ5,5′‐Bi‐5H‐dibenzo[a,d]cycloheptene (2,3; 6,7; 2′,3′; 6′,7′‐Tetrabenzoheptafulvalene)
作者:
K.S. Dichmann,
S.C. Nyburg,
F.H. Pickard,
J. A. Potworowski,
期刊:
Acta Crystallographica Section B
(WILEY Available online 1974)
卷期:
Volume 30,
issue 1
页码: 27-36
ISSN:0567-7408
年代: 1974
DOI:10.1111/j.1600-5740.1974.tb00006.x
出版商: Blackwell Publishing Ltd
数据来源: WILEY
摘要:
The discovery of two isomerstrans(m.p. 332°) andsyn(m.p. 255°) of the title compound and the assignment of conformations to them is due to Schönberg, Sodtke&Praefcke [Chem. Ber.(1969), 102, 1453]. X‐ray structure analysis confirms the assignment. Thesynisomer, which is converted quantitatively totranswhen molten, crystallizes inP21/cwithZ= 8 and thus has two asymmetric molecules per general position. Thetransisomer also crystallizes inP21/cbut withZ= 2 so that the molecule is centrosymmetric. Molecules of both isomers are severely overcrowded and their geometry is discussed. Thetransisomer has probably the lower free energy at all temperat
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