Crystallography Open Database

Information card for entry 2214223

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Coordinates	Coordinates are not available: file is not found.
Structure factors	2214223.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	4-[(<i>Z</i>)-(4-Ethoxyphenylamino)(phenyl)methylene]-3-methyl-1-phenyl- 1<i>H</i>-pyrazol-5(4<i>H</i>)-one
Formula	C25 H23 N3 O2
Calculated formula	C25 H23 N3 O2
SMILES	O(c1ccc(N/C(=C2\C(=O)N(N=C2C)c2ccccc2)c2ccccc2)cc1)CC
Title of publication	4-[(<i>Z</i>)-(4-Ethoxyphenylamino)(phenyl)methylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
Authors of publication	Ma, Rui; Chen, Ying; Song, Zhong-Ying; Bai, Yi-Qiong; Bao, Feng
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	o3158 - o3158
a	6.9269 ± 0.0009 Å
b	10.7876 ± 0.0014 Å
c	15.531 ± 0.002 Å
α	71.966 ± 0.002°
β	78.994 ± 0.002°
γ	81.296 ± 0.003°
Cell volume	1077.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1024
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1581
Weighted residual factors for all reflections included in the refinement	0.2112
Goodness-of-fit parameter for all reflections included in the refinement	0.695
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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