| Literature DB >> 7779326 |
G Sun1, F R Fronczek, R D Gandour.
Abstract
The morpholine ring of the title compound, C12H20N2O3, adopts a chair conformation with an equatorial (methoxycarbonyl)methyl group. The cyanoethyl and (methoxycarbonyl)methyl groups are trans with respect to each other. The global minimum conformation, as computed by PCMODEL [Gajewski & Gilbert (1992). Molecular Modeling Package. Version 4.0], of the title compound agrees with that observed in the crystal. In the crystal, the torsion angles (N identical to)C-CH2-CH2-C(O), (N identical to 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.Entities:
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Year: 1995 PMID: 7779326 DOI: 10.1107/s0108270194003604
Source DB: PubMed Journal: Acta Crystallogr C ISSN: 0108-2701 Impact factor: 1.172