Crystallography Open Database

Information card for entry 7155278

Preview

Coordinates	7155278.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3-benzyl-3-hydroxyindolin-2-one
Formula	C15 H13 N O2
Calculated formula	C15 H13 N O2
SMILES	OC1(C(=O)Nc2c1cccc2)Cc1ccccc1
Title of publication	Ruthenium-catalyzed direct α-alkylation of amides using alcohols.
Authors of publication	Chaudhari, Moreshwar Bhagwan; Bisht, Girish Singh; Kumari, Pooja; Gnanaprakasam, Boopathy
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	39
Pages of publication	9215 - 9220
a	9.6173 ± 0.0005 Å
b	9.7573 ± 0.0005 Å
c	12.8363 ± 0.0007 Å
α	90°
β	100.175 ± 0.002°
γ	90°
Cell volume	1185.6 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0384
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0962
Weighted residual factors for all reflections included in the refinement	0.103
Goodness-of-fit parameter for all reflections included in the refinement	0.659
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188278 (current)	2016-11-08	cif/ Updating files of 7155278, 7155279 Original log message: Adding full bibliography for 7155278--7155279.cif.	7155278.cif
187182	2016-10-08	cif/ Updating files of 7155278, 7155279 Original log message: Adding full bibliography for 7155278--7155279.cif.	7155278.cif
186503	2016-09-10	cif/ Adding structures of 7155278, 7155279 via cif-deposit CGI script.	7155278.cif