Crystallography Open Database

Information card for entry 7217636

Preview

Coordinates	7217636.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-(4-methoxybenzyl)-2H-indazole
Formula	C15 H14 N2 O
Calculated formula	C15 H14 N2 O
SMILES	n1(nc2c(c1)cccc2)Cc1ccc(OC)cc1
Title of publication	A facile synthesis of 2H-indazoles under neat conditions and further transformation into aza-γ-carboline alkaloid analogues in a tandem one-pot fashion
Authors of publication	Vidyacharan, Shinde; Sagar, A.; Chaitra, N. C.; Sharada, Duddu S.
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	65
Pages of publication	34232
a	9.415 ± 0.0016 Å
b	5.6395 ± 0.0009 Å
c	12.3566 ± 0.0018 Å
α	90°
β	110.273 ± 0.018°
γ	90°
Cell volume	615.44 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0975
Weighted residual factors for all reflections included in the refinement	0.1079
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
180507 (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 7/21/76.	7217636.cif
121781	2014-08-08	cif/ Adding structures of 7217636 via cif-deposit CGI script.	7217636.cif