Information card for entry 1558923
Common name |
2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-selenadiazine |
Formula |
C13 H17 N3 Se |
Calculated formula |
C13 H N3 Se |
SMILES |
[Se]1C(C(=NN/C1=N/C(C)C)c1ccccc1)C |
Title of publication |
The Crystal Structures of 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-thiadiazine and 2-Isopropylamino-6-methyl-5-phenyl-6H-1,3,4-selenadiazine |
Authors of publication |
Szulzewsky, Klaus; Pfeiffer, Wolf-Diethard; Bulka, Ehrenfried; Rossberg, Harald; Schulz, Burghard |
Journal of publication |
Acta Chemica Scandinavica |
Year of publication |
1993 |
Journal volume |
47 |
Pages of publication |
302 - 306 |
a |
19.533 ± 0.003 Å |
b |
6.079 ± 0.002 Å |
c |
12.241 ± 0.002 Å |
α |
90° |
β |
107.79 ± 0.02° |
γ |
90° |
Cell volume |
1384 ± 0.6 Å3 |
Ambient diffraction temperature |
296 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/a 1 |
Hall space group symbol |
-P 2yab |
Residual factor for significantly intense reflections |
0.067 |
Diffraction radiation probe |
x-ray |
Diffraction radiation wavelength |
0.71069 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/1558923.html