Crystallography Open Database

Information card for entry 2203368

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Structure parameters

Formula	C10 H9 N O2 S
Calculated formula	C10 H9 N O2 S
SMILES	S1CCN(C1=O)C(=O)c1ccccc1
Title of publication	3-Benzoylthiazolidin-2-one
Authors of publication	Delong Shen; Jianquan Weng; Chengxia Tan; Aishu Tang
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	4
Pages of publication	o602 - o603
a	11.2818 ± 0.0005 Å
b	12.4987 ± 0.0006 Å
c	13.8074 ± 0.0005 Å
α	90°
β	91.209 ± 0.001°
γ	90°
Cell volume	1946.52 ± 0.15 Å³
Cell temperature	297.1 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 significantly intense reflections	0.035
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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