Crystallography Open Database

Information card for entry 7246325

Preview

Coordinates	7246325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 N5 O8
Calculated formula	C24 H19 N5 O8
SMILES	O=C1N([NH3+])C(=O)c2c3c1cccc3ccc2.O=C1N(N)C(=O)c2c3c(cccc13)ccc2.O.N(=O)(=O)[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	7.4117 ± 0.0008 Å
b	14.0189 ± 0.0013 Å
c	10.6336 ± 0.001 Å
α	90°
β	98.59 ± 0.009°
γ	90°
Cell volume	1092.48 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.053
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1045
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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.	7246325.cif
281118	2023-02-24	cif/ Adding structures of 7246323, 7246324, 7246325, 7246326, 7246327, 7246328 via cif-deposit CGI script.	7246325.cif