Crystallography Open Database

Information card for entry 7230104

Preview

Coordinates	7230104.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-oxindole
Formula	C8 H7 N O
Calculated formula	C8 H7 N O
SMILES	O=C1Nc2ccccc2C1
Title of publication	Polymorphs of oxindole as the core structures in bioactive compounds
Authors of publication	Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	12
Pages of publication	1739
a	12.2387 ± 0.0007 Å
b	7.2236 ± 0.0004 Å
c	8.0822 ± 0.0004 Å
α	90°
β	103.325 ± 0.006°
γ	90°
Cell volume	695.29 ± 0.07 Å³
Cell temperature	293 ± 1 K
Ambient diffraction temperature	293 ± 1 K
Number of distinct elements	4
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	0.0809
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1518
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
229155 (current)	2019-11-17	cif/ Updating files of 7230098, 7230099, 7230100, 7230101, 7230102, 7230103, 7230104, 7230105 Original log message: Adding full bibliography for 7230098--7230105.cif.	7230104.cif
206350	2018-02-10	cif/ Adding structures of 7230098, 7230099, 7230100, 7230101, 7230102, 7230103, 7230104, 7230105 via cif-deposit CGI script.	7230104.cif