Crystallography Open Database

Information card for entry 7246326

Preview

Coordinates	7246326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 N2 O2
Calculated formula	C12 H8 N2 O2
SMILES	O=C1N(N)C(=O)c2c3c1cccc3ccc2
Title of publication	Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide
Authors of publication	Sendh, Jagajiban; Baruah, Jubaraj B.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	13
Pages of publication	1928 - 1940
a	7.307 ± 0.0006 Å
b	9.3649 ± 0.0007 Å
c	14.6557 ± 0.001 Å
α	81.676 ± 0.003°
β	80.506 ± 0.003°
γ	69.46 ± 0.003°
Cell volume	922.15 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0611
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
292638 (current)	2024-06-28	cif/7: Fixing Z values and formulae	7246326.cif
282322	2023-04-04	cif/ Updating files of 7246323, 7246324, 7246325, 7246326, 7246327, 7246328 Original log message: Adding full bibliography for 7246323--7246328.cif.	7246326.cif
281118	2023-02-24	cif/ Adding structures of 7246323, 7246324, 7246325, 7246326, 7246327, 7246328 via cif-deposit CGI script.	7246326.cif