Crystallography Open Database

Information card for entry 2208076

2208075 << 2208076 >> 2208077

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Structure parameters

Chemical name	(E)-1,2-bis(1-ethylbenzimidazol-2-yl)ethene dihydrate
Formula	C20 H24 N4 O2
Calculated formula	C20 H24 N4 O2
SMILES	CCn1c(/C=C/c2nc3c(n2CC)cccc3)nc2c1cccc2.O.O
Title of publication	The hydrogen-bonding network in (<i>E</i>)-1,2-bis(1-ethylbenzimidazol-2-yl)ethene dihydrate
Authors of publication	Robert T. Stibrany; Joseph A. Potenza
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	2
Pages of publication	o828 - o830
a	11.0314 ± 0.0008 Å
b	4.8234 ± 0.0003 Å
c	17.8657 ± 0.0015 Å
α	90°
β	102.498 ± 0.006°
γ	90°
Cell volume	928.09 ± 0.12 Å³
Cell temperature	297 ± 1 K
Ambient diffraction temperature	297 ± 1 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	0.0955
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1205
Weighted residual factors for all reflections included in the refinement	0.1375
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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