1,2-oxazine chemistry—II : The crystal and molecular structure of N-(p-carboxybenzyl)-tetrahydro-1,2-oxazine |
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Authors: | F.G. Riddell P. Murray-Rust J. Murray-Rust |
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Affiliation: | Department of Chemistry, The University, Stirling UK |
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Abstract: | The crystal structure of the title compound has been determined from X-ray diffractometer data by direct methods, and refined by full matrix least squares techniques to R = 0·057 for 1231 reflections. The crystals are monoclinic, space group C2/C, cell dimensions a = 1665, b = 987, c = 1443 pm, β = 107·37° and Z = 8. The conformation of the tetrahydro-1,2-oxazine ring is a chair with the N-substituent equatorial. There is evidence of significantly greater torsional angles around the N and O atoms than around the ring C atoms, showing the ring to be more puckered than cyclohexane. The hydrogen bond is between the acid group on one molecule and the ring nitrogen on its neighbour. |
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