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Self-association and stereochemistry study of (5R)-4-methyl-5-phenyl-1,3,4-oxadiazinan-2-one
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Alessandro Rodrigues
Published/Copyright:
September 25, 2009
Abstract
C10H12N2O2, Mr = 191.21, P21, a = 5.5771(7), b = 27.841(3), c = 6.906(1) Å, β = 111.937(9)°, Z = 4, R1 = 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 13C NMR experiment at low temperature are in agreement with the X-ray crystal structure.
Keywords: Infrared spectroscopy; 13C NMR spectroscopy; Oxadiazinone; Single crystal structure analysis; X-ray diffraction
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Published Online: 2009-9-25
Published in Print: 2006-3-1
© by Oldenbourg Wissenschaftsverlag, München
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Keywords for this article
Infrared spectroscopy;
13C NMR spectroscopy;
Oxadiazinone;
Single crystal structure analysis;
X-ray diffraction
Articles in the same Issue
- Crystal structure of new lanthanide diphosphates KLnP2O7 · 2 H2O (Ln = Gd, Tb, Yb)
- Annealing effects, anomalous dielectric properties and conductivity of As-diluted lead phosphate Pb3(P1–xAsxO4)2
- Effect of hydrostatic pressure on the crystal structure of sodium oxalate: X-ray diffraction study and ab initio simulations
- The transformation mechanism of the sodalite- to the melilite-topology: Thermal expansion and decomposition of bicchulite-type to melilite-type compounds
- Ab initio crystal structure determination of Bi6Rh12O29 from powder diffraction data
- The crystal structure of natural 33R moissanite from Tibet
- Structure, phase transitions and dielectric properties of a new inclusion compound of bis-thiourea pyridinium nitrate salt
- Self-association and stereochemistry study of (5R)-4-methyl-5-phenyl-1,3,4-oxadiazinan-2-one
- The crystal and molecular structures of sodium and barium complexes of dibenzo-24-crown-8 ether
- Books Received
