Information card for entry 2213010
Chemical name |
3-(3-Chloro-4-fluorophenyl)-2-(2-chlorophenoxy)-3,4-dihydro-2H-1,3,2- benzoxazaphosphorine 2-oxide |
Formula |
C19 H13 Cl2 F N O3 P |
Calculated formula |
C19 H13 Cl2 F N O3 P |
SMILES |
P1(=O)(N(c2cc(Cl)c(F)cc2)Cc2c(O1)cccc2)Oc1c(Cl)cccc1 |
Title of publication |
3-(3-Chloro-4-fluorophenyl)-2-(2-chlorophenoxy)-3,4-dihydro-2<i>H</i>-1,3,2-benzoxazaphosphorine 2-oxide |
Authors of publication |
Krishnaiah, M.; Radha Krishna, J.; Kiran, Y. B.; Devendranath Reddy, C.; Thetmar, Win; Pho Kaung |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
4 |
Pages of publication |
o1756 - o1758 |
a |
6.731 ± 0.002 Å |
b |
18.652 ± 0.003 Å |
c |
15.045 ± 0.003 Å |
α |
90° |
β |
101.98 ± 0.03° |
γ |
90° |
Cell volume |
1847.7 ± 0.8 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
7 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0668 |
Residual factor for significantly intense reflections |
0.0598 |
Weighted residual factors for significantly intense reflections |
0.1642 |
Weighted residual factors for all reflections included in the refinement |
0.1699 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.089 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2213010.html