Crystallography Open Database

Information card for entry 7227371

Preview

Coordinates	7227371.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Glibenclamide-sodiumhydrate salt
Chemical name	5-chloro-N-(4-[N-(cyclohexylcarbamoyl)sulfamoyl]phenethyl)-2-methoxybenzamide-sodium-hydrate
Formula	C23 H27 Cl N3 Na O6 S
Calculated formula	C23 H27 Cl N3 Na O6 S
SMILES	c1(c(OC)ccc(Cl)c1)C(=O)NCCc1ccc(S(=O)([O-])=NC(=O)NC2CCCCC2)cc1.O.[Na+]
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	19.5991 ± 0.0016 Å
b	5.8086 ± 0.0003 Å
c	23.4722 ± 0.0017 Å
α	90°
β	108.746 ± 0.008°
γ	90°
Cell volume	2530.4 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
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	0.1202
Residual factor for significantly intense reflections	0.0844
Weighted residual factors for significantly intense reflections	0.2244
Weighted residual factors for all reflections included in the refinement	0.275
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	7227371.cif
190005	2017-01-07	cif/ Adding structures of 7227370, 7227371, 7227372, 7227373, 7227374, 7227375 via cif-deposit CGI script.	7227371.cif