Crystallography Open Database

Information card for entry 7246324

Preview

Coordinates	7246324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H11 N3 O6
Calculated formula	C12 H11 N3 O6
SMILES	O=N(=O)[O-].O=C1N([NH3+])C(=O)c2c3c1cccc3ccc2.O
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	6.983 ± 0.004 Å
b	8.788 ± 0.005 Å
c	10.103 ± 0.006 Å
α	98.26 ± 0.02°
β	94.33 ± 0.02°
γ	93.17 ± 0.02°
Cell volume	610.4 ± 0.6 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	0.124
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1428
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
282322 (current)	2023-04-04	cif/ Updating files of 7246323, 7246324, 7246325, 7246326, 7246327, 7246328 Original log message: Adding full bibliography for 7246323--7246328.cif.	7246324.cif
281118	2023-02-24	cif/ Adding structures of 7246323, 7246324, 7246325, 7246326, 7246327, 7246328 via cif-deposit CGI script.	7246324.cif