Crystallography Open Database

Information card for entry 2023072

2023071 << 2023072 >> 2023073

Preview

Coordinates	2023072.cif
Original IUCr paper	HTML

Structure parameters

Common name	(<i>E</i>)-3-(Pyridin-4-yl)acrylic acid
Chemical name	(<i>E</i>)-3-(Pyridin-4-yl)prop-2-enoic acid
Formula	C8 H7 N O2
Calculated formula	C8 H7 N O2
Title of publication	Synthesis, characterization and supra-molecular analysis for (<i>E</i>)-3-(pyridin-4-yl)acrylic acid.
Authors of publication	Florez-Muñoz, Valentina; Guerrero, Andres Felipe; Macias, Mario; Illicachi, Luis Alberto; D'Vries, Richard
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2024
Journal volume	80
Journal issue	Pt 4
Pages of publication	388 - 391
a	6.6279 ± 0.0015 Å
b	7.3272 ± 0.0012 Å
c	8.2308 ± 0.0015 Å
α	67.271 ± 0.017°
β	83.403 ± 0.017°
γ	73.006 ± 0.017°
Cell volume	352.58 ± 0.13 Å³
Cell temperature	291 K
Ambient diffraction temperature	291 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0564
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1393
Weighted residual factors for all reflections included in the refinement	0.1527
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291726 (current)	2024-05-06	cif/ Updating files of 2023072 Original log message: Adding full bibliography for 2023072.cif.	2023072.cif
290677	2024-03-27	cif/ Adding structures of 2023072 via cif-deposit CGI script.	2023072.cif