Crystallography Open Database

Information card for entry 2008465

2008464 << 2008465 >> 2008466

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Coordinates	2008465.cif
Original IUCr paper	HTML

Structure parameters

Common name	(E)-3-(Benzoylmethylene)-N-methyl isoindolin-1-one
Chemical name	(E)-3-(Benzoylmethylene)-N-methyl isoindolin-1-one
Formula	C17 H13 N O2
Calculated formula	C17 H13 N O2
SMILES	N1(C(=O)c2c(cccc2)C\1=C/C(=O)c1ccccc1)C
Title of publication	(<i>E</i>)-3-(Benzoylmethylene)-<i>N</i>-methylisoindolin-1-one
Authors of publication	Guha, Subhadra; Mukherjee, Alok K.; Khan, M. Wahab; Kundu, Nitya G.
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	5
Pages of publication	818 - 819
a	9.033 ± 0.001 Å
b	11.081 ± 0.001 Å
c	13.447 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1346 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.04
Weighted residual factors for all reflections	0.104
Weighted residual factors for significantly intense reflections	0.096
Goodness-of-fit parameter for all reflections	0.863
Goodness-of-fit parameter for significantly intense reflections	0.968
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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