X-RAY CRYSTAL STRUCTURES OFCis- ANDTrans-3-(DIPHENYLHYDROXYMETHYL)-2-ETHOXY-2-OXO-1,2-OXAPHOSPHORINANES AND AN ASSOCIATED STUDY OF HYDROGEN BONDING

Autor:	Thomas M. Lane, Dennis W. Bennett, Sheldon E. Cremer, Oscar P. Rodriguez
Rok vydání:	1995
Předmět:	Hydrogen bond Chemistry Stereochemistry Organic Chemistry Substituent Crystal structure Ring (chemistry) Biochemistry Inorganic Chemistry Crystallography chemistry.chemical_compound Alkoxy group Single crystal Cis–trans isomerism Monoclinic crystal system
Zdroj:	Phosphorus, Sulfur, and Silicon and the Related Elements. 103:63-75
ISSN:	1563-5325 1042-6507
DOI:	10.1080/10426509508027366
Popis:	The molecular structures of both the cis(4a) and trans(4b) isomers of 3-(diphenylhydroxymethyl)-2-ethoxy-2-oxo-1,2-oxaphosphorinane were determined by the single crystal X-ray diffraction method. The cis and trans designation refer to the relative spacial arrangements of the phosphoryl oxygen and the substituent group on the α-carbon. The crystallographic data are for 4a: C19H23O4P, Mr = 346.36 monoclinic, P21/c, a = 13.2774(9) A, b = 8.5543(9) A, c = 16.7289(25) A, β = 111.142(10)°, V = 1772.2(4) A3, Z = 4, Dcalc = 1.298 g cm−3, λ(MoKα) = 0.71069 A, μ = 1.70 cm−1, F(000) = 736, T = 298 K, R = 0.065 for 2099 reflections; and for 4b: C19H23O4P, Mr = 346.36, monoclinic, P21/c, a = 9.5120(15) A, b = 12.317(4) A, c = 15.309(3) A, β = 100.717(15)°, V = 1762.3(7) A3, Z = 4, Dcalc = 1.305 g cm−3, μ(MoKα) = 0.71069 A, μ = 1.60 cm−1, F(000) = 736, T = 298 K, R = 0.041 for 1638 reflections. In both structures the diphenylhydroxymethyl group is in an equatorial position, and the 1,2-oxaphosphorinane ring ad...
Databáze:	OpenAIRE
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