Crystallography Open Database

Information card for entry 2022865

2022864 << 2022865 >> 2022866

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Structure parameters

Chemical name	3-Ferrocenyl-1-(pyridin-2-yl)-1<i>H</i>-pyrazol-5-amine
Formula	C18 H16 Fe N4
Calculated formula	C18 H16 Fe N4
Title of publication	Synthesis, crystal structure, and Hirshfeld surface analysis of 3-ferrocenyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
Authors of publication	Joekar, Delara; Hiscock, Lana K.; Dawe, Louise N.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	10
a	17.349 ± 0.008 Å
b	6.894 ± 0.003 Å
c	12.173 ± 0.005 Å
α	90°
β	92.878 ± 0.012°
γ	90°
Cell volume	1454.1 ± 1.1 Å³
Cell temperature	110.15 K
Ambient diffraction temperature	110.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
286430 (current)	2023-09-20	cif/ hkl/ Adding structures of 2022865 via cif-deposit CGI script.	2022865.cif 2022865.hkl