| Autor: |
Mullica, D. F., Trawick, M. L., Shao, Y. Y., Sappenfield, E. L. |
| Zdroj: |
Journal of Chemical Crystallography; June 1994, Vol. 24 Issue: 6 p365-369, 5p |
| Abstrakt: |
The crystal structure of (3S)(2-oxo-6-thioxo-3-piperidinyl)-phenylmethylcarbamate (I) has been determined from three-dimensional single-crystal X-ray diffraction data. This compound crystallizes in the monoclinic noncentrosymmetric space group P21 (No. 4, C22) withZ=2 anda=5.737(2),b=8.908(2),c=13.402(2)Å, and ß=100:34(2)°. The phase problem was solved by direct methods and the standard difference-map technique. The final least-squares full-matrix refinement based on 1832 unique reflections yielded a reliability factor of 0.043. Bond lengths and angles are internally consistent and the molecules in the crystal lattice are held together by van der Waals forces and hydrogen bonding. Important geometric details are tabularized. Infrared,1H and13C NMR, and UV spectral results are presented and discussed. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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