Crystallography Open Database

Information card for entry 7230100

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Structure parameters

Common name	2-oxindole
Chemical name	indolin-2-one
Formula	C8 H7 N O
Calculated formula	C8 H7 N O
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	14.4305 ± 0.0009 Å
b	13.1657 ± 0.001 Å
c	7.0872 ± 0.0005 Å
α	90°
β	101.958 ± 0.007°
γ	90°
Cell volume	1317.26 ± 0.16 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	0.1045
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7230100.cif
229155	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.	7230100.cif
206350	2018-02-10	cif/ Adding structures of 7230098, 7230099, 7230100, 7230101, 7230102, 7230103, 7230104, 7230105 via cif-deposit CGI script.	7230100.cif