Crystallography Open Database

Information card for entry 7240634

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Structure parameters

Common name	2-aminopyridinium 4-nitrophenolate 4-nitrophenol
Chemical name	2-aminopyridinium 4-nitrophenolate 4-nitrophenol
Formula	C17 H16 N4 O6
Calculated formula	C17 H16 N4 O6
Title of publication	Structural diversity of hydrogen-bonded complexes comprising phenol-based and pyridine-based components: NLO properties, crystallographic and spectroscopic studies
Authors of publication	Bryndal, Iwona; Drozd, Marek; Lis, Tadeusz; Zaręba, Jan Kazimierz; Ratajczak, Henryk
Journal of publication	CrystEngComm
Year of publication	2020
a	13.249 ± 0.005 Å
b	10.91 ± 0.004 Å
c	11.697 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1690.8 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1131
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1349
Weighted residual factors for all reflections included in the refinement	0.1643
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240634.cif
252661	2020-06-05	cif/ Adding structures of 7240630, 7240631, 7240632, 7240633, 7240634 via cif-deposit CGI script.	7240634.cif