Crystallography Open Database

Information card for entry 2008463

2008462 << 2008463 >> 2008464

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Coordinates	2008463.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	N-[2,3-dihydro-4-(2,5-Dimethoxyphenyl)thiazol-2-ylidene]-2,4- dichlorobenzenesulfonamide.
Formula	C17 H14 Cl2 N2 O4 S2
Calculated formula	C17 H14 Cl2 N2 O4 S2
SMILES	c1(c(ccc(c1)OC)OC)C1NC(SC=1)=NS(=O)(=O)c1ccc(cc1Cl)Cl
Title of publication	Tautomerism in a 2,4-dichlorobenzenesulfonamide derived from 2-amino-4-(2,5-dimethoxyphenyl)thiazole
Authors of publication	Beuchet, Pierre; Léger, Jean-Michel; Varache-Lembége, Martine; Nuhrich, Alain
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	5
Pages of publication	791 - 794
a	12.369 ± 0.001 Å
b	12.998 ± 0.001 Å
c	13.39 ± 0.001 Å
α	63.54 ± 0.01°
β	88.97 ± 0.01°
γ	79.89 ± 0.01°
Cell volume	1892.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.041
Weighted residual factors for all reflections	0.101
Weighted residual factors for significantly intense reflections	0.134
Goodness-of-fit parameter for all reflections	1.043
Goodness-of-fit parameter for significantly intense reflections	1.088
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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