Crystallography Open Database

Information card for entry 4500673

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Coordinates	4500673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 Cl N4 O7 S
Calculated formula	C18 H17 Cl N4 O7 S
Title of publication	Sulfonamide−Pyridine-N-oxide Cocrystals
Authors of publication	Goud, N. Rajesh; Babu, N. Jagadeesh; Nangia, Ashwini
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	5
Pages of publication	1930
a	5.2214 ± 0.0004 Å
b	9.586 ± 0.0008 Å
c	20.154 ± 0.0017 Å
α	85.222 ± 0.001°
β	88.759 ± 0.001°
γ	74.826 ± 0.001°
Cell volume	970.2 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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