Crystallography Open Database

Information card for entry 2311253

Preview

Coordinates	2311253.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-Acetyl-5-(3-methoxy-phenyl)-3,7-dimethyl-5<i>H</i>-thiazolo[3,2-<i>a</i>]pyrimidine-6-carboxylic acid ethyl ester
Formula	C20 H22 N2 O4 S
Calculated formula	C20 H22 N2 O4 S
Title of publication	Crystal structure of 2-acetyl-5-(3-methoxyphenyl)-3,7-dimethyl-5H-1,3-thiazolo[3,2-a]pyrimidine-6-carboxylate.
Authors of publication	Prasad, N. L.; Krishnamurthy, M. S.; Nagarajaiah, H.; Begum, Noor Shahina
Journal of publication	Acta crystallographica. Section E, Structure reports online
Year of publication	2014
Journal volume	70
Journal issue	Pt 11
Pages of publication	o1204
a	8.281 ± 0.003 Å
b	9.68 ± 0.004 Å
c	12.821 ± 0.005 Å
α	76.423 ± 0.01°
β	86.308 ± 0.01°
γ	74.641 ± 0.011°
Cell volume	963.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1281
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1492
Weighted residual factors for all reflections included in the refinement	0.1727
Goodness-of-fit parameter for all reflections included in the refinement	0.925
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
245726 (current)	2019-12-25	cif/ Adding structures of 2311253 via cif-deposit CGI script.	2311253.cif