Crystallography Open Database

Information card for entry 4341453

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Structure parameters

Formula	C21 H17 N3
Calculated formula	C21 H17 N3
SMILES	n1c(cccc1)NN(c1ccccc1)c1c2c(ccc1)cccc2
Title of publication	Ligand-Centered Redox in Nickel(II) Complexes of 2-(Arylazo)pyridine and Isolation of 2-Pyridyl-Substituted Triaryl Hydrazines via Catalytic N-Arylation of Azo-Function.
Authors of publication	Sengupta, Debabrata; Ghosh, Pradip; Chatterjee, Tanmay; Datta, Harashit; Paul, Nanda D.; Goswami, Sreebrata
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141105122752002
a	14.066 ± 0.006 Å
b	7.975 ± 0.004 Å
c	14.885 ± 0.007 Å
α	90°
β	99.335 ± 0.014°
γ	90°
Cell volume	1647.6 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0991
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.1579
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4341453.cif
179517	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14.	4341453.cif
126611	2014-11-07	cif/ Adding structures of 4341449, 4341450, 4341451, 4341452, 4341453 via cif-deposit CGI script.	4341453.cif