Crystallography Open Database

Information card for entry 2204660

2204659 << 2204660 >> 2204661

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Coordinates	2204660.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1-(4-Chlorophenyl)3-(4-trifluoromethylbenzoylhydrazino)prop-2-en-1-one
Formula	C17 H12 Cl F3 N2 O2
Calculated formula	C17 H12 Cl F3 N2 O2
SMILES	Clc1ccc(cc1)C(=O)/C=C\NNC(=O)c1ccc(cc1)C(F)(F)F
Title of publication	1-(4-Chlorophenyl)-3-(4-trifluoromethylbenzoylhydrazino)-2-propenone
Authors of publication	Li-Rong Wen; Wei-Si Guo; Ming Li; Xue-Mei Li; Shu-Sheng Zhang; Ping-Kai Ouyang; Zi-Qin Ke
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	12
Pages of publication	o2468 - o2470
a	7.6851 ± 0.0014 Å
b	8.8523 ± 0.0016 Å
c	25.104 ± 0.004 Å
α	86.897 ± 0.003°
β	88.293 ± 0.003°
γ	72.739 ± 0.003°
Cell volume	1628.4 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1031
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.189
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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