Crystallography Open Database

Information card for entry 7207571

7207570 << 7207571 >> 7207572

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Structure parameters

Formula	C7 H7 N3 O3
Calculated formula	C7 H7 N3 O3
Title of publication	Fast dissolving eutectic compositions of two anti-tubercular drugs
Authors of publication	Cherukuvada, Suryanarayan; Nangia, Ashwini
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	7
Pages of publication	2579
a	3.7408 ± 0.0007 Å
b	17.352 ± 0.002 Å
c	12.558 ± 0.002 Å
α	90°
β	95.76 ± 0.016°
γ	90°
Cell volume	811 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
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	0.0739
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301863 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure.	7207571.cif
180406	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/75.	7207571.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207571.cif
52039	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7207568, 7207569, 7207570, 7207571, 7207572 via cif-deposit CGI script.	7207571.cif