Crystallography Open Database

Information card for entry 7207551

7207550 << 7207551 >> 7207552

Preview

Coordinates	7207551.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Antipyrine)(4-Aminobenzoic acid)
Chemical name	Antipyrine 4-Aminobenzoic acid (1/1)
Formula	C18 H19 N3 O3
Calculated formula	C18 H19 N3 O3
Title of publication	Screening for cocrystals of succinic acid and 4-aminobenzoic acid
Authors of publication	Issa, Nizar; Barnett, Sarah A.; Mohamed, Sharmarke; Braun, Doris E.; Copley, Royston C. B.; Tocher, Derek A.; Price, Sarah L.
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	7
Pages of publication	2454
a	9.5767 ± 0.0012 Å
b	12.7646 ± 0.0017 Å
c	13.9388 ± 0.0018 Å
α	90°
β	90.758 ± 0.002°
γ	90°
Cell volume	1703.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0731
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1071
Weighted residual factors for all reflections included in the refinement	0.1191
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
180406 (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 7/20/75.	7207551.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207551.cif
52034	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7207551, 7207552, 7207553, 7207554 via cif-deposit CGI script.	7207551.cif