Crystallography Open Database

Information card for entry 2022379

2022378 << 2022379 >> 2022380

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Structure parameters

Chemical name	Bis(2-aminophenyl) selenide
Formula	C12 H12 N2 Se
Calculated formula	C12 H12 N2 Se
SMILES	[Se](c1ccccc1N)c1ccccc1N
Title of publication	Bis(2-nitrophenyl) selenide, bis(2-aminophenyl) selenide and bis(2-aminophenyl) telluride: structural and theoretical analysis
Authors of publication	Saravanan, Raju; Singh, Harkesh B.; Butcher, Ray J.
Journal of publication	Acta Crystallographica Section C
Year of publication	2021
Journal volume	77
Journal issue	6
a	8.4557 ± 0.0002 Å
b	7.053 ± 0.0002 Å
c	18.0521 ± 0.0005 Å
α	90°
β	92.643 ± 0.003°
γ	90°
Cell volume	1075.45 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0577
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
265292 (current)	2021-05-18	cif/ hkl/ Adding structures of 2022378, 2022379, 2022380 via cif-deposit CGI script.	2022379.cif 2022379.hkl