Crystallography Open Database

Information card for entry 2204235

2204234 << 2204235 >> 2204236

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
Structure factors	2204235.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Methyl 2-amino-5-isopropyl-1,3-thiazole-4-carboxylate
Formula	C8 H12 N2 O2 S
Calculated formula	C8 H12 N2 O2 S
SMILES	s1c(nc(c1C(C)C)C(=O)OC)N
Title of publication	Methyl 2-amino-5-isopropyl-1,3-thiazole-4-carboxylate
Authors of publication	Kennedy, Alan R.; Khalaf, Abedawn I.; Suckling, Colin J.; Waigh, Roger D.
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	9
Pages of publication	o1510 - o1512
a	8.4219 ± 0.0013 Å
b	9.962 ± 0.0012 Å
c	12.4307 ± 0.0015 Å
α	90°
β	90.916 ± 0.011°
γ	90°
Cell volume	1042.8 ± 0.2 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 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	0.098
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.