Crystallography Open Database

Information card for entry 2022155

2022154 << 2022155 >> 2022156

Preview

Coordinates	2022155.cif
Structure factors	2022155.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>E</i>)-1-Benzyl-3-[2-oxo-2-(pyridin-4-yl)ethylidene]indolin-2-one
Formula	C22 H16 N2 O2
Calculated formula	C22 H16 N2 O2
SMILES	N1(C(=O)C(=C\C(=O)c2ccncc2)\c2ccccc12)Cc1ccccc1
Title of publication	Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products
Authors of publication	Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
Journal of publication	Acta Crystallographica Section C
Year of publication	2020
Journal volume	76
Journal issue	5
Pages of publication	433 - 445
a	7.3457 ± 0.0006 Å
b	18.0675 ± 0.0016 Å
c	13.1813 ± 0.0013 Å
α	90°
β	105.994 ± 0.003°
γ	90°
Cell volume	1681.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
252950 (current)	2020-06-06	cif/ hkl/ Adding structures of 2022149, 2022150, 2022151, 2022152, 2022153, 2022154, 2022155, 2022156, 2022157 via cif-deposit CGI script.	2022155.cif 2022155.hkl