Crystallography Open Database

Information card for entry 7209934

7209933 << 7209934 >> 7209935

Preview

Coordinates	7209934.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3-nitrobenzoic acid 4-phenylpyridine
Chemical name	3-nitrobenzoic acid 4-phenylpyridine
Formula	C18 H14 N2 O4
Calculated formula	C18 H14 N2 O4
Title of publication	Multi-component crystals of 4-phenylpyridine: challenging the boundaries between co-crystal and organic salt formation with insight into solid-state proton transfer
Authors of publication	Seaton, Colin C.; Munshi, Tasnim; Williams, Sara E.; Scowen, Ian J.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	26
Pages of publication	5250
a	17.7951 ± 0.0006 Å
b	6.9089 ± 0.0003 Å
c	13.0784 ± 0.0005 Å
α	90°
β	109.667 ± 0.002°
γ	90°
Cell volume	1514.12 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0512
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1255
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
180430 (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 7/20/99.	7209934.cif
86882	2013-07-12	cif/ Adding structures of 7209934, 7209935, 7209936, 7209937, 7209938, 7209939, 7209940, 7209941, 7209942 via cif-deposit CGI script.	7209934.cif