Crystallography Open Database

Information card for entry 2203230

2203229 << 2203230 >> 2203231

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Original IUCr paper	HTML

Structure parameters

Chemical name	1,3-Bis(2-phenylethyl)benzimidazolium-2-dithiocarboxylate
Formula	C24 H22 N2 S2
Calculated formula	C24 H22 N2 S2
SMILES	[S-]C(=S)c1n(c2ccccc2[n+]1CCc1ccccc1)CCc1ccccc1
Title of publication	1,3-Bis(2-phenylethyl)benzimidazolium-2-dithiocarboxylate
Authors of publication	Mehmet Akkurt; Sema Öztürk; Hasan Küçükbay; Ersin Orhan; Orhan Büyükgüngör
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	2
Pages of publication	o219 - o221
a	22.1161 ± 0.001 Å
b	8.7361 ± 0.0005 Å
c	22.3793 ± 0.001 Å
α	90°
β	95.336 ± 0.004°
γ	90°
Cell volume	4305.1 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.0917
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	0.817
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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