Crystallography Open Database

Information card for entry 2244205

Preview

Coordinates	2244205.cif
Original IUCr paper	HTML

Structure parameters

Common name	Topiramate azidosulfate
Chemical name	2,3:4,5-Bis-<i>O</i>-(1-methylethylidene)-β-<i>D</i>-fructopyranose azidosulfate
Formula	C12 H19 N3 O8 S
Calculated formula	C12 H19 N3 O8 S
SMILES	S(=O)(=O)(OC[C@]12OC[C@H]3OC(O[C@H]3[C@@H]2OC(O1)(C)C)(C)C)N=N#N
Title of publication	Synthesis and crystal structure of topiramate azidosulfate at 90K and 298K
Authors of publication	Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Vinaya; Divakara, Thayamma R.; Yathirajan, Hemmige S.; Glidewell, Christopher; Parkin, Sean
Journal of publication	Acta Crystallographica Section E
Year of publication	2022
Journal volume	78
Journal issue	10
Pages of publication	984 - 988
a	7.9857 ± 0.0004 Å
b	9.0145 ± 0.0004 Å
c	22.1621 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1595.39 ± 0.13 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0239
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0601
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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