Crystallography Open Database

Information card for entry 7217565

Preview

Coordinates	7217565.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	salicylic acid:4,4'-bipyridine Form II
Formula	C24 H20 N2 O6
Calculated formula	C24 H20 N2 O6
SMILES	C(=O)(O)c1c(cccc1)O.c1cnccc1c1ccncc1.c1(c(cccc1)O)C(=O)O
Title of publication	Polymorphism in cocrystals of urea:4,4′-bipyridine and salicylic acid:4,4′-bipyridine
Authors of publication	Tothadi, Srinu
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	32
Pages of publication	7587
a	9.92 ± 0.009 Å
b	4.919 ± 0.004 Å
c	23.046 ± 0.018 Å
α	90°
β	114.28 ± 0.03°
γ	90°
Cell volume	1025.1 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0696
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1461
Weighted residual factors for all reflections included in the refinement	0.166
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7216708
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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