Crystallography Open Database

Information card for entry 2207221

2207220 << 2207221 >> 2207222

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Structure parameters

Chemical name	Methyl 2-oxo-2,3-dihydro-1,3-benzothiazole-3-acetate
Formula	C10 H9 N O3 S
Calculated formula	C10 H9 N O3 S
SMILES	s1c2ccccc2n(c1=O)CC(=O)OC
Title of publication	Methyl 2-oxo-2,3-dihydro-1,3-benzothiazole-3-acetate
Authors of publication	Mehmet Akkurt; Sema Öztürk Yıldırım; Yamna Baryala; Abdelfettah Zerzouf; Essassi, El-Mokhtar; Orhan Büyükgüngör
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	11
Pages of publication	o3872 - o3873
a	4.7858 ± 0.0003 Å
b	12.401 ± 0.0007 Å
c	17.5319 ± 0.001 Å
α	90°
β	95.679 ± 0.005°
γ	90°
Cell volume	1035.39 ± 0.11 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0551
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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