Crystallography Open Database

Information card for entry 7219977

7219976 << 7219977 >> 7219978

Preview

Coordinates	7219977.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	alpha amino amidine
Chemical name	2-(2-azidophenyl)-N-tert-butyl-N-phenyl-2-(phenylamino)acetimidamide
Formula	C24 H26 N6
Calculated formula	C24 H26 N6
SMILES	N(c1ccccc1)C(C(=N\c1ccccc1)/NC(C)(C)C)c1ccccc1N=N#N
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	16.92 ± 0.002 Å
b	9.0785 ± 0.0009 Å
c	15.7191 ± 0.0019 Å
α	90°
β	110.502 ± 0.013°
γ	90°
Cell volume	2261.6 ± 0.5 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	0.1465
Residual factor for significantly intense reflections	0.0927
Weighted residual factors for significantly intense reflections	0.2269
Weighted residual factors for all reflections included in the refinement	0.326
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
180530 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/99.	7219977.cif
134333	2015-03-24	cif/ Adding structures of 7219977, 7219978 via cif-deposit CGI script.	7219977.cif