Crystallography Open Database

Information card for entry 7227370

Preview

Coordinates	7227370.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Glibenclamide
Chemical name	5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide
Formula	C23 H28 Cl N3 O5 S
Calculated formula	C23 H28 Cl N3 O5 S
SMILES	S(=O)(=O)(NC(=O)NC1CCCCC1)c1ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc1
Title of publication	Polymorphism, isostructurality and physicochemical properties of glibenclamide salts
Authors of publication	Suresh, Kuthuru; Khandavilli, U. B. Rao; Gunnam, Anilkumar; Nangia, Ashwini
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	6
Pages of publication	918
a	9.45444 ± 0.00013 Å
b	17.6795 ± 0.0003 Å
c	14.4839 ± 0.0002 Å
α	90°
β	93.4373 ± 0.0013°
γ	90°
Cell volume	2416.63 ± 0.06 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1387
Weighted residual factors for all reflections included in the refinement	0.1458
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
193758 (current)	2017-03-05	cif/ Updating files of 7227370, 7227371, 7227372, 7227373, 7227374, 7227375 Original log message: Adding full bibliography for 7227370--7227375.cif.	7227370.cif
190005	2017-01-07	cif/ Adding structures of 7227370, 7227371, 7227372, 7227373, 7227374, 7227375 via cif-deposit CGI script.	7227370.cif