Crystallography Open Database

Information card for entry 4504994

Preview

Coordinates	4504994.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4-Aminobenzoic acid 2,2'-bipyridine
Chemical name	4-Aminobenzoic acid 2,2'-bipyridine
Formula	C12 H9 N2 O4
Calculated formula	C12 H9 N2 O4
Title of publication	Structural Consequences of Strong and Weak Interactions to Binary Benzoic Acid/Bipyridine Supramolecular Assemblies
Authors of publication	Bowers, Jeffrey R.; Hopkins, Gregory W.; Yap, Glenn P. A.; Wheeler, Kraig A.
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	2
Pages of publication	727
a	29.21 ± 0.003 Å
b	3.8089 ± 0.0005 Å
c	23.2503 ± 0.0015 Å
α	90°
β	118.029 ± 0.004°
γ	90°
Cell volume	2283.4 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1145
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4504994.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504994.cif
50101	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4504991, 4504992, 4504993, 4504994, 4504995, 4504996, 4504997 via cif-deposit CGI script.	4504994.cif