Crystallography Open Database

Information card for entry 7230482

Preview

Coordinates	7230482.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Zonisamide:Caffeine
Formula	C16 H18 N6 O5 S
Calculated formula	C16 H18 N6 O5 S
Title of publication	Cocrystals of zonisamide: physicochemical characterization and sustained release solid forms
Authors of publication	Aitipamula, Srinivasulu; Cadden, Joseph; Chow, Pui Shan
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	21
Pages of publication	2923
a	9.5902 ± 0.0001 Å
b	13.3084 ± 0.0001 Å
c	14.2436 ± 0.0001 Å
α	90°
β	91.855 ± 0.001°
γ	90°
Cell volume	1816.96 ± 0.03 Å³
Cell temperature	297.3 ± 0.4 K
Ambient diffraction temperature	297.3 ± 0.4 K
Number of distinct elements	5
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	0.0504
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1446
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
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
229111 (current)	2019-11-17	cif/ Updating files of 7230481, 7230482 Original log message: Adding full bibliography for 7230481--7230482.cif.	7230482.cif
207372	2018-04-17	cif/ Adding structures of 7230481, 7230482 via cif-deposit CGI script.	7230482.cif