Crystallography Open Database

Information card for entry 7245732

Preview

Coordinates	7245732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 Br2 N4
Calculated formula	C17 H14 Br2 N4
SMILES	Brc1cc2c(nc1)n(cc2Cc1cn(c2ncc(Br)cc12)C)C
Title of publication	Synthesis of 5-aryl-3,3′-bis-indolyl and bis-7-aza-indolyl methanone derivatives from 5-bromo-7-azaindoles via sequential methylenation using microwave irradiation, CAN oxidation, and Suzuki coupling reactions
Authors of publication	Pavithra, Elavarasan; Kannadasan, Sathananthan; Shanmugam, Ponnusamy
Journal of publication	RSC Advances
Year of publication	2022
Journal volume	12
Journal issue	47
Pages of publication	30712 - 30721
a	7.8514 ± 0.0007 Å
b	8.4149 ± 0.0007 Å
c	13.4259 ± 0.0012 Å
α	100.609 ± 0.003°
β	105.51 ± 0.003°
γ	95.703 ± 0.003°
Cell volume	829.71 ± 0.13 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0657
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
278848 (current)	2022-10-28	cif/ Adding structures of 7245731, 7245732 via cif-deposit CGI script.	7245732.cif