Crystallography Open Database

Information card for entry 2208908

2208907 << 2208908 >> 2208909

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Structure parameters

Chemical name	2-(Benzylsulfanyl)benzaldehyde azine
Formula	C28 H24 N2 S2
Calculated formula	C28 H24 N2 S2
SMILES	c1ccc(cc1)CSc1ccccc1/C=N/N=C/c1ccccc1SCc1ccccc1
Title of publication	2-(Benzylsulfanyl)benzaldehyde azine
Authors of publication	Hamaker, Christopher G.; Oberts, Benjamin P.
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	5
Pages of publication	o1780 - o1781
a	7.5712 ± 0.0005 Å
b	7.8467 ± 0.0006 Å
c	11.3069 ± 0.001 Å
α	91.882 ± 0.008°
β	92.124 ± 0.007°
γ	117.234 ± 0.006°
Cell volume	595.92 ± 0.09 Å³
Cell temperature	297 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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