Crystallography Open Database

Information card for entry 2203733

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Structure parameters

Chemical name	2,2'-{(Z)-Ethane-1,2-diylbis[(Z)-o-phenylenenitrilomethylidyne]}diphenol
Formula	C28 H24 N2 O2
Calculated formula	C28 H24 N2 O2
SMILES	Oc1ccccc1/C=N/c1ccccc1CCc1ccccc1/N=C/c1ccccc1O
Title of publication	2,2'-{(<i>Z</i>)-Ethane-1,2-diylbis[(<i>Z</i>)-<i>o</i>-phenylenenitrilomethylidyne]}diphenol (EIEP)
Authors of publication	S. M. Malathy Sony; P. Charles; M. N. Ponnuswamy; H. S. Yathirajan
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	6
Pages of publication	o1078 - o1080
a	11.817 ± 0.003 Å
b	13.762 ± 0.006 Å
c	6.873 ± 0.002 Å
α	90°
β	101.15 ± 0.03°
γ	90°
Cell volume	1096.6 ± 0.6 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1545
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1504
Weighted residual factors for all reflections included in the refinement	0.1991
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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