METHYL (2S,6S 6-(2-CYANOETHYL)-4,6-DIMETHYL-2-MORPHOLINEACETATE/

Citation
Gb. Sun et al., METHYL (2S,6S 6-(2-CYANOETHYL)-4,6-DIMETHYL-2-MORPHOLINEACETATE/, Acta crystallographica. Section C, Crystal structure communications, 51, 1995, pp. 980-982
Citations number
9
Categorie Soggetti
Crystallography
ISSN journal
01082701
Volume
51
Year of publication
1995
Part
5
Pages
980 - 982
Database
ISI
SICI code
0108-2701(1995)51:<980:M(6>2.0.ZU;2-J
Abstract
The morpholine ring of the title compound, C12H20N2O3, adopts a chair conformation with an equatorial (methoxycarbonyl)methyl group. The cya noethyl and (methoxycarbonyl)methyl groups are trans with respect to e ach other. The global minimum conformation, as computed by PCMODEL [Ga jewski and Gilbert (1992). Molecular Modeling Package. Version 4.0], o f the title compound agrees with that observed in the crystal. In the crystal, the torsion angles (N=)C-CH2-CH2-C(O), (N=C)CH2-CH2-C-O, O-CH -CH2-C(OOCH3) and (O)CH-CH2-C(O)-O(CH3) have values -170.0(1), -45.9(2 ), -71.6(2) and 142.8(1)degrees, respectively.