Crystallography Open Database

Information card for entry 2020982

2020981 << 2020982 >> 2020983

Preview

Coordinates	2020982.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	<i>N</i>-(4-Nitrophenyl)-2-phthalimidoethanesulfonamide
Formula	C16 H13 N3 O6 S
Calculated formula	C16 H13 N3 O6 S
SMILES	S(=O)(=O)(Nc1ccc(N(=O)=O)cc1)CCN1C(=O)c2c(C1=O)cccc2
Title of publication	Substituent position effect on the crystal structures of <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives
Authors of publication	Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin
Journal of publication	Acta Crystallographica Section C
Year of publication	2018
Journal volume	74
Journal issue	1
Pages of publication	31 - 36
a	7.1547 ± 0.0006 Å
b	10.4322 ± 0.0013 Å
c	11.8228 ± 0.0016 Å
α	100.106 ± 0.011°
β	104.043 ± 0.01°
γ	102.278 ± 0.009°
Cell volume	812.14 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
205706 (current)	2018-01-26	cif/ hkl/ Adding structures of 2020981, 2020982, 2020983, 2020984 via cif-deposit CGI script.	2020982.cif