Crystallography Open Database

Information card for entry 2217301

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Structure parameters

Chemical name	pyridine-2,4-dicarboxylic acid‒serine (1/1)
Formula	C10 H12 N2 O7
Calculated formula	C10 H12 N2 O7
SMILES	OC(=O)c1nccc(c1)C(=O)O.[O-]C(=O)[C@@H]([NH3+])CO
Title of publication	A cocrystal of pyridine-2,4-dicarboxylic acid and serine
Authors of publication	Peng Liang
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	1
Pages of publication	o43 - o43
a	4.4941 ± 0.0013 Å
b	6.4512 ± 0.0018 Å
c	10.123 ± 0.003 Å
α	81.273 ± 0.003°
β	87.06 ± 0.003°
γ	86.247 ± 0.003°
Cell volume	289.21 ± 0.14 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.0874
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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