The crystals (C16H18NO2P, Mr=287.30) are orthorhombic, space group Pbca with a=8.200(2), b=14.857(2), and c=24.396(5)Å, V=2972.1 Å3, Z=8, Dx=1.284 mg m-3, λ(Mo Kα)=0.71069 Å, μ=1.90 cm-1, F(000)=216, T=295K. Final R=0.044 for 1673 observed reflections collected on a diffractometer. Structure solved by direct methods. Cis-junction and double bond in the six-membered ring cause its almost ideal sofa conformation. The two neighboring methyl groups are cis, and cyano substituent is in an equatorial position. There is a short intramolecular H(o-phenyl)⋯O(endocyclic) contact of 2.53(3)Å and the phenyl ring is in a less favorable rotational orientation due to molecular packing. © 1989 Plenum Publishing Corporation.
Crystal structure of 7-cyano-6,7-dimethyl-1-phenyl-1,3,6,7-tetrahydro-2,1-benzoxaphospole 1-oxide
BERTOLASI, Valerio
1989
Abstract
The crystals (C16H18NO2P, Mr=287.30) are orthorhombic, space group Pbca with a=8.200(2), b=14.857(2), and c=24.396(5)Å, V=2972.1 Å3, Z=8, Dx=1.284 mg m-3, λ(Mo Kα)=0.71069 Å, μ=1.90 cm-1, F(000)=216, T=295K. Final R=0.044 for 1673 observed reflections collected on a diffractometer. Structure solved by direct methods. Cis-junction and double bond in the six-membered ring cause its almost ideal sofa conformation. The two neighboring methyl groups are cis, and cyano substituent is in an equatorial position. There is a short intramolecular H(o-phenyl)⋯O(endocyclic) contact of 2.53(3)Å and the phenyl ring is in a less favorable rotational orientation due to molecular packing. © 1989 Plenum Publishing Corporation.I documenti in SFERA sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
