Crystallography Open Database

Information card for entry 4032006

4032005 << 4032006 >> 4032007

Preview

Coordinates	4032006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 N2 O2
Calculated formula	C24 H20 N2 O2
SMILES	O(c1ccc(c2n(c(nc2C(=O)c2ccccc2)c2ccccc2)C)cc1)C
Title of publication	One-Pot Synthesis of 2,4,5-Trisubstituted Imidazoles via [2 + 2 + 1] Cycloannulation of 1,3-Bishet(aryl)-monothio-1,3-diketones, α-Substituted Methylamines and Sodium Nitrite through α-Nitrosation of Enaminones.
Authors of publication	Yugandar, S.; Konda, S.; Parameshwarappa, G.; Ila, H.
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	13
Pages of publication	5606 - 5622
a	10.4681 ± 0.0004 Å
b	10.6574 ± 0.0005 Å
c	17.3657 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1937.36 ± 0.15 Å³
Cell temperature	298 K
Ambient diffraction temperature	297.99 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1198
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
184158 (current)	2016-07-04	cif/ Adding structures of 4032006, 4032007 via cif-deposit CGI script.	4032006.cif