Crystallography Open Database

Information card for entry 8106275

Preview

Coordinates	8106275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H13 Br N2 O
Calculated formula	C14 H13 Br N2 O
Title of publication	Crystal structure of (E)-2-(1-((2-aminophenyl)imino)ethyl)-4-bromophenol, C14H13BrN2O
Authors of publication	Hong, Yong; Liu, Wei
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	4
Pages of publication	725 - 726
a	6.8679 ± 0.0005 Å
b	7.7096 ± 0.0005 Å
c	12.4043 ± 0.0007 Å
α	90°
β	101.332 ± 0.002°
γ	90°
Cell volume	643.99 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.0691
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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