Crystallography Open Database

Information card for entry 7224756

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Structure parameters

Common name	Oxaprozin-2-Amino-3-Picoline
Chemical name	1:1 Salt of Oxaprozin and 2-Amino-3-Picoline
Formula	C24 H23 N3 O3
Calculated formula	C24 H23 N3 O3
SMILES	n1c(oc(c2ccccc2)c1c1ccccc1)CCC(=O)[O-].[nH+]1c(N)c(ccc1)C
Title of publication	Novel solid forms of oxaprozin: cocrystals and an extended release drug-drug salt of salbutamol
Authors of publication	Aitipamula, Srinivasulu; Wong, Annie B.H.; Chow, Pui Shan; Tan, Reginald B. H.
Journal of publication	RSC Adv.
Year of publication	2016
a	6.0156 ± 0.0012 Å
b	8.8644 ± 0.0018 Å
c	19.296 ± 0.004 Å
α	81.31 ± 0.03°
β	85.29 ± 0.03°
γ	80.23 ± 0.03°
Cell volume	1000.7 ± 0.4 Å³
Cell temperature	110.15 K
Ambient diffraction temperature	110.15 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	0.0739
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.2033
Weighted residual factors for all reflections included in the refinement	0.2052
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7224756.cif
180648	2016-03-31	cif/ Adding structures of 7224754, 7224755, 7224756, 7224757, 7224758, 7224759 via cif-deposit CGI script.	7224756.cif