Crystallography Open Database

Information card for entry 2000552

2000551 << 2000552 >> 2000553

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Coordinates	2000552.cif
Original IUCr paper	HTML

Structure parameters

Formula	C12 H17 Cl N2 O3 S
Calculated formula	C12 H17 Cl N2 O3 S
SMILES	CN(S(=O)(=O)c1ccc(cc1)Cl)C(=O)NC(C)(C)C
Title of publication	Structure of 3-<i>tert</i>-butyl-1-[(4-chlorophenyl)sulfonyl]-1-methylurea
Authors of publication	Ghosh, M.; Das, A. K.; Mazumdar, S. K.; Bocelli, G.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	10
Pages of publication	1862 - 1864
a	13.075 ± 0.002 Å
b	13.284 ± 0.003 Å
c	9.924 ± 0.002 Å
α	103.68 ± 0.03°
β	95.28 ± 0.03°
γ	66.34 ± 0.04°
Cell volume	1534 ± 0.7 Å³
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	Cu
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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