Crystallography Open Database

Information card for entry 2311902

2311901 << 2311902 >> 2311903

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Coordinates	2311902.cif
Original IUCr paper	HTML

Structure parameters

Common name	2,6-Diaminopyridine‒piracetam (1/1)
Chemical name	2,6-Diaminopyridine‒2-(2-oxopyrrolidin-1-yl)acetamide (1/1)
Formula	C11 H17 N5 O2
Calculated formula	C11 H17 N5 O2
SMILES	c1(cccc(n1)N)N.C1(=O)CCCN1CC(=O)N
Title of publication	Crystal structure of pharmaceutical cocrystals of 2,6-diaminopyridine with piracetam and theophylline.
Authors of publication	Durán-Palma, Melissa Hidekel; Mendoza-Barraza, Sonia Sanet; Magaña-Vergara, Nancy Evelyn; Martínez-Martínez, Francisco Javier; González-González, Juan Saulo
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2017
Journal volume	73
Journal issue	Pt 10
Pages of publication	767 - 772
a	12.5854 ± 0.001 Å
b	10.0901 ± 0.0007 Å
c	19.8568 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	2521.6 ± 0.3 Å³
Cell temperature	293.15 ± 0.02 K
Ambient diffraction temperature	293.15 ± 0.02 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0561
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.136
Goodness-of-fit parameter for all reflections included in the refinement	1.191
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
246161 (current)	2019-12-26	cif/ Adding structures of 2311902, 2311903 via cif-deposit CGI script.	2311902.cif