A LOW-TEMPERATURE PHASE OF 2-PYRROLIDONE

Authors
GODDARD R HEINEMANN O KRUGER C MAGDO I MARK F SCHAFFNER K
Citation
R. Goddard et al., A LOW-TEMPERATURE PHASE OF 2-PYRROLIDONE, Acta crystallographica. Section C, Crystal structure communications, 54, 1998, pp. 501-504
Citations number
35
Categorie Soggetti
Crystallography
Journal title
Acta crystallographica. Section C, Crystal structure communications → ACNP
ISSN journal
01082701
Volume
54
Year of publication
1998
Part
4
Pages
501 - 504
Database
ISI
SICI code
0108-2701(1998)54:<501:ALPO2>2.0.ZU;2-P
Abstract
Differential scanning calorimetry in the range 173-303 K reveals the p resence of a previously unknown metastable phase of 2-pyrrolidone, C4H 7NO, with a melting point of 286 K. Its crystal structure at 173 K is described. The molecules crystallize as centrosymmetric dimers and are linked by N-H...O hydrogen bonds with each molecule adopting an unstr ained envelope conformation. Theoretical calculations confirm a slight pyramidalization of the N atom.