Crystallography Open Database

Information card for entry 2010522

2010521 << 2010522 >> 2010523

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Coordinates	2010522.cif
Original IUCr paper	HTML

Structure parameters

Common name	(Z)-N-(p-anisyl)-3-benzylidene isoindolin-1-one
Chemical name	(Z)-N-(p-anisyl)-3-benzylidene isoindolin-1-one
Formula	C22 H17 N O2
Calculated formula	C22 H17 N O2
SMILES	N1(c2ccc(OC)cc2)C(=O)c2ccccc2/C1=C/c1ccccc1
Title of publication	Two (<i>Z</i>)-<i>N</i>-aryl-3-benzylideneisoindolin-1-ones
Authors of publication	Mukherjee, Alok K.; Guha, Subhadra; Khan, M. Wahab; Kundu, Nitya G.; Helliwell, Madeleine
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	1
Pages of publication	85 - 87
a	8.577 ± 0.006 Å
b	10.542 ± 0.004 Å
c	18.272 ± 0.004 Å
α	90°
β	98.34 ± 0.04°
γ	90°
Cell volume	1634.7 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for all reflections	0.1097
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections	1.027
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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