Crystallography Open Database

Information card for entry 2022811

2022810 << 2022811 >> 2022812

Preview

Coordinates	2022811.cif
Structure factors	2022811.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>N</i>,<i>N</i>-Dimethylacetamide–1-(dimethyl-λ^4^-azanylidene)ethan-1-ol dichloridoiodate (1/1)
Formula	C8 H19 Cl2 I N2 O2
Calculated formula	C8 H19 Cl2 I N2 O2
Title of publication	Crystal structures and Hirshfeld surface analyses of N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol tribromide (1/1), N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dibromidoiodate (1/1) and N,N-dimethylacetamide–1-(dimethyl-λ4-azanylidene)ethan-1-ol dichloridoiodate (1/1)
Authors of publication	Mammadova, Gunay Z.; Mertsalov, Dmitriy F.; Shchevnikov, Dmitriy M.; Grigoriev, Mikhail S.; Akkurt, Mehmet; Yıldırım, Sema Öztürk; Bhattarai, Ajaya
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	8
a	10.5264 ± 0.0003 Å
b	6.7261 ± 0.0002 Å
c	10.8124 ± 0.0003 Å
α	90°
β	105.95 ± 0.001°
γ	90°
Cell volume	736.06 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0078
Residual factor for significantly intense reflections	0.0078
Weighted residual factors for significantly intense reflections	0.0216
Weighted residual factors for all reflections included in the refinement	0.0216
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
284814 (current)	2023-07-05	cif/ hkl/ Adding structures of 2022809, 2022810, 2022811 via cif-deposit CGI script.	2022811.cif 2022811.hkl