Crystallography Open Database

Information card for entry 7157486

Preview

Coordinates	7157486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H11 Br N O2
Calculated formula	C16 H11 Br N O2
Title of publication	Acylation of oxindoles using methyl/phenyl esters via the mixed Claisen condensation - an access to 3-alkylideneoxindoles.
Authors of publication	Sreedharan, Ramdas; Rajeshwaran, Purushothaman; Panyam, Pradeep Kumar Reddy; Yadav, Saurabh; Nagaraja, C. M.; Gandhi, Thirumanavelan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	20
Pages of publication	3843 - 3847
a	8.3268 ± 0.0014 Å
b	9.2126 ± 0.0013 Å
c	9.6765 ± 0.0016 Å
α	83.964 ± 0.005°
β	73.197 ± 0.005°
γ	73.333 ± 0.005°
Cell volume	680.55 ± 0.19 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1054
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
252917 (current)	2020-06-05	cif/ Updating files of 7157486, 7157487 Original log message: Adding full bibliography for 7157486--7157487.cif.	7157486.cif
251348	2020-05-01	cif/ Adding structures of 7157486, 7157487 via cif-deposit CGI script.	7157486.cif