Crystallography Open Database

Information card for entry 2203236

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Structure parameters

Chemical name	5-Methyl-2-phenyl-4-[(Z)-(2-tolylamino)phenylmethylene]pyrazol-3(2H)-one
Formula	C24 H21 N3 O
Calculated formula	C24 H21 N3 O
SMILES	O=C1N(N=C(/C1=C(/Nc1ccccc1C)c1ccccc1)C)c1ccccc1
Title of publication	5-Methyl-2-phenyl-4-[(<i>Z</i>)-(2-tolylamino)phenylmethylene]pyrazol-3(2<i>H</i>)-one
Authors of publication	Bao, Feng; Lü, Xingqiang; Wu, Qing; Kang, Beisheng; Ng, Seik Weng
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	2
Pages of publication	o155 - o156
a	9.792 ± 0.001 Å
b	9.832 ± 0.001 Å
c	11.556 ± 0.002 Å
α	101.56 ± 0.002°
β	99.974 ± 0.002°
γ	108.034 ± 0.002°
Cell volume	1002.8 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.071
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.114
Weighted residual factors for all reflections included in the refinement	0.133
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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