Crystallography Open Database

Information card for entry 7210161

Preview

Coordinates	7210161.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3-Aminopyridine 4-nitrophenol
Chemical name	3-Aminopyridine 4-nitrophenol
Formula	C11 H11 N3 O3
Calculated formula	C11 H11 N3 O3
SMILES	O=N(=O)c1ccc(O)cc1.n1cccc(N)c1
Title of publication	New acentric materials constructed from aminopyridines and 4-nitrophenol
Authors of publication	Draguta, Sergiu; Fonari, Marina S.; Masunov, Artëm E.; Zazueta, Joel; Sullivan, Shannon; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	23
Pages of publication	4700
a	11.367 ± 0.002 Å
b	3.8092 ± 0.0007 Å
c	13.278 ± 0.003 Å
α	90°
β	112.892 ± 0.003°
γ	90°
Cell volume	529.65 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1347
Weighted residual factors for all reflections included in the refinement	0.1393
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
180432 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/01.	7210161.cif
87046	2013-07-13	cif/ Adding structures of 7210157, 7210158, 7210159, 7210160, 7210161, 7210162 via cif-deposit CGI script.	7210161.cif