Crystallography Open Database

Information card for entry 7245731

Preview

Coordinates	7245731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 N4 O
Calculated formula	C17 H14 N4 O
SMILES	c1ccc2c(n1)n(cc2C(=O)c1c2cccnc2n(c1)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	10.9221 ± 0.0011 Å
b	11.2501 ± 0.0011 Å
c	12.3823 ± 0.0011 Å
α	90°
β	112.92 ± 0.003°
γ	90°
Cell volume	1401.4 ± 0.2 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1272
Weighted residual factors for all reflections included in the refinement	0.1381
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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.	7245731.cif