Information card for entry 2242433
Chemical name |
3-[2-(1,3-Thiazol-2-yl)diazen-1-yl]pyridine-2,6-diamine monohydrate |
Formula |
C8 H10 N6 O S |
Calculated formula |
C8 H10 N6 O S |
SMILES |
s1ccnc1/N=N/c1c(nc(N)cc1)N.O |
Title of publication |
Crystal structure of 3-[2-(1,3-thiazol-2-yl)diazen-1-yl]pyridine-2,6-diamine monohydrate |
Authors of publication |
Chotima, Ratanon; Boonseng, Bussaba; Piyasaengthong, Akkharadet; Songsasen, Apisit; Chainok, Kittipong |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2018 |
Journal volume |
74 |
Journal issue |
4 |
Pages of publication |
563 - 565 |
a |
3.7856 ± 0.0004 Å |
b |
28.393 ± 0.003 Å |
c |
9.6324 ± 0.0009 Å |
α |
90° |
β |
93.824 ± 0.003° |
γ |
90° |
Cell volume |
1033.03 ± 0.18 Å3 |
Cell temperature |
296 K |
Ambient diffraction temperature |
296 K |
Number of distinct elements |
5 |
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 |
0.0822 |
Residual factor for significantly intense reflections |
0.0607 |
Weighted residual factors for significantly intense reflections |
0.1127 |
Weighted residual factors for all reflections included in the refinement |
0.1212 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.172 |
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/2242433.html