Crystallography Open Database

Information card for entry 7219978

7219977 << 7219978 >> 7219979

Preview

Coordinates	7219978.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3-amidino substituted 2H-indazole
Chemical name	N-tert-butyl-N2-diphenyl-2H-indazole-3-carboximidamide
Formula	C24 H24 N4
Calculated formula	C24 H24 N4
SMILES	N(/C(=N/c1ccccc1)c1n(nc2c1cccc2)c1ccccc1)C(C)(C)C
Title of publication	Silica gel promoted environment-friendly synthesis of α-amino amidines and regioselective transformation of α-amino amidines into amidino substituted indazoles
Authors of publication	Sagar, A.; Babu, Venkata Nagarjuna; Sharada, Duddu. S.
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	37
Pages of publication	29066
a	11.501 ± 0.0011 Å
b	11.7613 ± 0.0015 Å
c	18.1827 ± 0.0015 Å
α	81.571 ± 0.009°
β	78.506 ± 0.007°
γ	61.154 ± 0.012°
Cell volume	2107.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1264
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.216
Weighted residual factors for all reflections included in the refinement	0.24
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7219978.cif
134333	2015-03-24	cif/ Adding structures of 7219977, 7219978 via cif-deposit CGI script.	7219978.cif