Crystallography Open Database

Information card for entry 7249383

Preview

Coordinates	7249383.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(NIPht)2(o-Me2bipy),(CH2Cl2)
Chemical name	Bis(N-iodophalimide)(5,5?-dimethyl-2,2?-bipyridine), (dichloromethane)
Formula	C29 H22 Cl2 I2 N4 O4
Calculated formula	C29 H22 Cl2 I2 N4 O4
Title of publication	N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin
Authors of publication	Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	42
Pages of publication	6075 - 6081
a	25.6531 ± 0.0016 Å
b	14.227 ± 0.0008 Å
c	4.1646 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1519.94 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	32
Hermann-Mauguin space group symbol	P b a 2
Hall space group symbol	P 2 -2ab
Residual factor for all reflections	0.0618
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
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
296459 (current)	2024-12-06	cif/ Updating files of 7249377, 7249378, 7249379, 7249380, 7249381, 7249382, 7249383, 7249384, 7249385, 7249386 Original log message: Adding full bibliography for 7249377--7249386.cif.	7249383.cif
294892	2024-09-26	cif/ Adding structures of 7249377, 7249378, 7249379, 7249380, 7249381, 7249382, 7249383, 7249384, 7249385, 7249386 via cif-deposit CGI script.	7249383.cif