Crystallography Open Database

Information card for entry 2020984

2020983 << 2020984 >> 2020985

Preview

Coordinates	2020984.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	<i>N</i>-(2-Ethylphenyl)-2-phthalimidoethanesulfonamide monohydrate
Formula	C18 H20 N2 O5 S
Calculated formula	C18 H20 N2 O5 S
SMILES	S(=O)(=O)(Nc1ccccc1CC)CCN1C(=O)c2c(C1=O)cccc2.O
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	15.356 ± 0.003 Å
b	7.4014 ± 0.0005 Å
c	25.061 ± 0.005 Å
α	90°
β	141.36 ± 0.04°
γ	90°
Cell volume	1778.6 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1442
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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.	2020984.cif