Crystallography Open Database

Information card for entry 2206990

2206989 << 2206990 >> 2206991

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2206990.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	2-{[3-(2-Nitrophenyl)prop-2-enylidene]amino}phenol
Formula	C15 H12 N2 O3
Calculated formula	C15 H12 N2 O3
SMILES	O=N(=O)c1ccccc1/C=C/C=N/c1c(O)cccc1
Title of publication	2-{[3-(2-Nitrophenyl)prop-2-enylidene]amino}phenol
Authors of publication	Ying Li; Xiao-Yan Yang; Shu-Sheng Zhang; Xue-Mei Li
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	10
Pages of publication	o3337 - o3338
a	22.654 ± 0.003 Å
b	7.5464 ± 0.001 Å
c	18.816 ± 0.002 Å
α	90°
β	123.692 ± 0.002°
γ	90°
Cell volume	2676.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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