Crystallography Open Database

Information card for entry 8102546

Preview

Coordinates	8102546.cif
External links	ChemSpider

Structure parameters

Chemical name	(<i>E</i>)-2-fluoro-6-((4-hydroxyphenethylimino)methyl)phenol
Formula	C15 H14 F N O2
Calculated formula	C15 H14 F N O2
SMILES	c1(c(c(ccc1)F)[O-])/C=[NH+]/CCc1ccc(cc1)O
Title of publication	Crystal structure of (E)-2-fluoro-6-((4-hydroxyphenethylimino)methyl)phenol, C15H14FNO2
Authors of publication	Ai-Yun Wang; Lei Shi; Hai-Liang Zhu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	531
a	7.5568 ± 0.0014 Å
b	9.465 ± 0.002 Å
c	10.1088 ± 0.0019 Å
α	68.52 ± 0.03°
β	74.05 ± 0.03°
γ	83.07 ± 0.03°
Cell volume	646.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0655
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1162
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
202018 (current)	2017-10-14	cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	8102546.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	8102546.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102546.cif
13285	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102546 via cif-deposit CGI script.	8102546.cif