Crystallography Open Database

Information card for entry 1551262

Preview

Coordinates	1551262.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Sulfamethoxazole nitrate
Formula	C10 H12 N4 O6 S
Calculated formula	C10 H12 N4 O6 S
Title of publication	Sulfamethoxazole salts: crystal structures, conformations and solubility
Authors of publication	de Moura Oliveira, Carlos H.; C. de Melo, Cristiane; Doriguetto, Antonio C.
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	26
Pages of publication	10250
a	5.3927 ± 0.0004 Å
b	31.353 ± 0.002 Å
c	7.8011 ± 0.0006 Å
α	90°
β	99.399 ± 0.008°
γ	90°
Cell volume	1301.28 ± 0.16 Å³
Cell temperature	292.44 ± 0.11 K
Ambient diffraction temperature	292.44 ± 0.11 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1307
Weighted residual factors for all reflections included in the refinement	0.1364
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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