Crystallography Open Database

Information card for entry 7054868

Preview

Coordinates	7054868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 F2 N2 O3 S
Calculated formula	C18 H18 F2 N2 O3 S
SMILES	c1(c(ccc(c1)F)CN(c1ccc(cc1)S(=O)(=O)N1CCC1)C(=O)C)F
Title of publication	Synthesis of novel sulfonamide azoles via C‒N cleavage of sulfonamides by azole ring and relational antimicrobial study
Authors of publication	Zhang, Hui-Zhen; Jeyakkumar, Ponmani; Vijaya Kumar, Kannekanti; Zhou, Cheng-He
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	7
Pages of publication	5776
a	8.7793 ± 0.0015 Å
b	8.4442 ± 0.0015 Å
c	23.81 ± 0.004 Å
α	90°
β	97.312 ± 0.006°
γ	90°
Cell volume	1750.8 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0524
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1367
Weighted residual factors for all reflections included in the refinement	0.1432
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7054868.cif
143720	2015-07-11	cif/ Updating files of 7054868, 7054869 Original log message: Adding full bibliography for 7054868--7054869.cif.	7054868.cif
137024	2015-05-20	cif/ Adding structures of 7054868, 7054869 via cif-deposit CGI script.	7054868.cif