Crystallography Open Database

Information card for entry 7207568

7207567 << 7207568 >> 7207569

Preview

Coordinates	7207568.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 N6 O6
Calculated formula	C16 H18 N6 O6
SMILES	C(=O)(c1cc[nH+]cc1)NN.C(=O)(/C=C/C(=O)[O-])[O-].C(=O)(c1cc[nH+]cc1)NN
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	7.883 ± 0.002 Å
b	8.697 ± 0.003 Å
c	12.506 ± 0.004 Å
α	90°
β	97.74 ± 0.03°
γ	90°
Cell volume	849.6 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0435
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
180406 (current)	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.	7207568.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207568.cif
52039	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7207568, 7207569, 7207570, 7207571, 7207572 via cif-deposit CGI script.	7207568.cif