Crystallography Open Database

Information card for entry 2023282

2023281 << 2023282 >> 2023283

Preview

Coordinates	2023282.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	4,4'-Bipyridine–4-nitrophenol (1/2)
Formula	C22 H18 N4 O6
Calculated formula	C22 H18 N4 O6
Title of publication	Crystal structure of a hydrogen-bonded 2:1 co-crystal of 4-nitrophenol and 4,4′-bipyridine
Authors of publication	Gotingco, Angela; Villanueva Contreras, Merary; Wolfarth, Jeanette A.; Stieber, S. Chantal E.; Marr, Zoe Y.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	11
Pages of publication	1135 - 1137
a	12.3711 ± 0.0007 Å
b	3.8255 ± 0.0002 Å
c	21.4175 ± 0.0012 Å
α	90°
β	104.195 ± 0.002°
γ	90°
Cell volume	982.65 ± 0.09 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.147
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
296777 (current)	2024-12-07	cif/ Updating files of 2023282 Original log message: Adding full bibliography for 2023282.cif.	2023282.cif
295459	2024-10-12	cif/ Adding structures of 2023282 via cif-deposit CGI script.	2023282.cif