In:
Zeitschrift für Kristallographie - Crystalline Materials, Walter de Gruyter GmbH, Vol. 221, No. 3 ( 2006-3-1), p. 226-230
Abstract:
C 10 H 12 N 2 O 2 , M r = 191.21, P 2 1 , a = 5.5771(7), b = 27.841(3), c = 6.906(1) Å, β = 111.937(9)°, Z = 4, R 1 = 0.0462. The two independent molecules in the asymmetric unit are linked through two very strong quasi centro-symmetric hydrogen bonds. The oxadiazinone rings, of both molecules, show the pyramidal inversion at N-4 nitrogen, thus resulting in a C (R) N (S) —C (R) N (R) diastereomeric pair. The analysis of the IR N-H stretching band (in the solid and in carbon tetrachloride solution) and the 13 C NMR experiment at low temperature are in agreement with the X-ray crystal structure.
Type of Medium:
Online Resource
ISSN:
2196-7105
,
2194-4946
DOI:
10.1524/zkri.2006.221.3.226
Language:
English
Publisher:
Walter de Gruyter GmbH
Publication Date:
2006
SSG:
13
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