Crystallography Open Database

Information card for entry 2242635

Preview

Coordinates	2242635.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>E</i>)-3-[(2,6-Dimethylphenyl)diazenyl]-7-methyl-1<i>H</i>-indazole
Formula	C16 H16 N4
Calculated formula	C16 H16 N4
SMILES	[nH]1nc(/N=N/c2c(cccc2C)C)c2c1c(ccc2)C
Title of publication	Crystal structure of (<i>E</i>)-3-[(2,6-dimethylphenyl)diazenyl]-7-methyl-1<i>H</i>-indazole
Authors of publication	Yagi, Shiomi; Haraguchi, Tomoyuki; Akitsu, Takashiro
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	10
Pages of publication	1421 - 1423
a	11.052 ± 0.008 Å
b	4.565 ± 0.004 Å
c	13.541 ± 0.01 Å
α	90°
β	97.997 ± 0.011°
γ	90°
Cell volume	676.5 ± 0.9 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0863
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1642
Weighted residual factors for all reflections included in the refinement	0.1795
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
210974 (current)	2018-09-15	cif/ Adding structures of 2242635 via cif-deposit CGI script.	2242635.cif