Crystallography Open Database

Information card for entry 8105386

Preview

Coordinates	8105386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H12 Br N O2
Calculated formula	C15 H12 Br N O2
Title of publication	Synthesis and crystal structure of 1-{4-[(3-bromo-2-hydroxy-benzylidene)amino]phenyl}ethanone, C15H12BrNO2
Authors of publication	Jin, Yi; Fu, Tao; Ma, Bo-Yang; Wei, Ping; Zhao, Ji-Xing; Zhao, Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	5
Pages of publication	1091 - 1092
a	11.7848 ± 0.0003 Å
b	10.0857 ± 0.0003 Å
c	12.2695 ± 0.0004 Å
α	90°
β	111.202 ± 0.001°
γ	90°
Cell volume	1359.62 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 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	0.0448
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8105386.html