Information card for entry 2005172
Chemical name |
3-(Isopropylamino)-4-methyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide |
Formula |
C10 H14 N4 O2 S |
Calculated formula |
C10 H14 N4 O2 S |
SMILES |
S1(=O)(=O)N=C(N(c2ccncc12)C)NC(C)C |
Title of publication |
3-Isopropylamino-4-methyl-4<i>H</i>-pyrido[4,3-<i>e</i>][1,2,4]thiadiazine 1,1-Dioxide |
Authors of publication |
Dupont, L.; Pirotte, B.; de Tullio, P.; Delarge, J. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
1996 |
Journal volume |
52 |
Journal issue |
7 |
Pages of publication |
1741 - 1743 |
a |
6.2084 ± 0.0007 Å |
b |
13.0294 ± 0.0014 Å |
c |
15.0456 ± 0.0011 Å |
α |
90° |
β |
95.709 ± 0.006° |
γ |
90° |
Cell volume |
1211 ± 0.2 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0588 |
Residual factor for significantly intense reflections |
0.0465 |
Weighted residual factors for all reflections |
0.1519 |
Weighted residual factors for significantly intense reflections |
0.1458 |
Goodness-of-fit parameter for all reflections |
1.072 |
Goodness-of-fit parameter for significantly intense reflections |
1.186 |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/2005172.html