Crystallography Open Database

Information card for entry 2022153

2022152 << 2022153 >> 2022154

Preview

Coordinates	2022153.cif
Structure factors	2022153.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	(<i>E</i>)-1-Benzyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]indolin-2-one
Formula	C23 H16 F N O2
Calculated formula	C23 H16 F N O2
SMILES	N1(C(=O)C(=C\C(=O)c2ccc(F)cc2)\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	7.6021 ± 0.0006 Å
b	20.488 ± 0.0013 Å
c	10.9319 ± 0.0007 Å
α	90°
β	96.986 ± 0.003°
γ	90°
Cell volume	1690 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0875
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.134
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	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.	2022153.cif 2022153.hkl