Crystallography Open Database

Information card for entry 8106434

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Coordinates	8106434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H14 N2 O6 S2
Calculated formula	C13 H14 N2 O6 S2
Title of publication	Crystal structure of 2-[(2-oxo-thiazolidine-3-carbonyl)sulfamoyl]-methy-benzoic acid methyl ester, C13H14N2O6S2
Authors of publication	Chen, Qing-Wu; Shen, De-Long
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2017
Journal volume	232
Journal issue	1
Pages of publication	67 - 68
a	28.1174 ± 0.001 Å
b	9.8677 ± 0.0004 Å
c	11.2738 ± 0.0004 Å
α	90°
β	98.4457 ± 0.0011°
γ	90°
Cell volume	3094 ± 0.2 Å³
Cell temperature	296 ± 1 K
Ambient diffraction temperature	296 ± 1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0682
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0875
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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