Structures of two (1:1) adducts of [α,α-bis(3,3,3-trifluoropropynyl)]benzyl benzoate and furan

Autor:	Michael G. Barlow, A. P. Wright, B. Beagley, S. Tajammal, Anthony E. Tipping, R. G. Pritchard
Rok vydání:	1993
Předmět:	chemistry.chemical_classification Trifluoromethyl Stereochemistry Chemistry General Medicine Crystal structure Ring (chemistry) General Biochemistry Genetics and Molecular Biology Adduct Ring strain chemistry.chemical_compound Polycyclic compound Benzyl benzoate Furan
Zdroj:	Acta Crystallographica Section C Crystal Structure Communications. 49:595-598
ISSN:	0108-2701
DOI:	10.1107/s0108270192010199
Popis:	[(Z)-5-(Benzoyloxybenzylidene)]- 1,4-bis(trifluorome thyl)-8-oxatricyclo[4.3.0.0 2.9 ]nona-3,6-diene (4) and 11,12-benzo-10-benzoyloxy-2,8-bis(trifluoromethyl) 5-oxapentacyclo[7.3.0.0 1,6 0 2,4 0 3,7 ]dodec-8-ene (5) are two of four main (1:1) adducts of the title reactants. The crystallographical characterization of (4) and (5) assists in establishing the mechanistic pathways of the reaction. The ring strain in isomer (4) is particu larly marked at double-bonded C6 where the three angles sum to 344.4 (7) o ; in the three-membered ring, C2-C9 [1.542 (7) A] is significantly longer than C1-C2 and C1-C9 [1.479 (6) and 1.470 (6) A respectively] and the angles C2-C1-C9, C1-C2-C9 and C1-C9-C2 [63.1 (3), 58.2 (3) and 58.8 (3) o respectively] are all significantly different from 60 o
Databáze:	OpenAIRE
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