Crystallography Open Database

Information card for entry 2006969

2006968 << 2006969 >> 2006970

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Structure parameters

Formula	C13 H18 N2 O2 S
Calculated formula	C13 H18 N2 O2 S
SMILES	Cc1ccc(cc1)S(=O)(=O)NN=C1CCCCC1
Title of publication	Cyclopentanone Tosylhydrazone and Cyclohexanone Tosylhydrazone
Authors of publication	William H. Ojala; William B. Gleason
Journal of publication	Acta Crystallographica Section C
Year of publication	1998
Journal volume	54
Journal issue	1
Pages of publication	63 - 66
a	10.1893 ± 0.0008 Å
b	11.0454 ± 0.0008 Å
c	6.1106 ± 0.0005 Å
α	99.258 ± 0.006°
β	93.769 ± 0.007°
γ	75.799 ± 0.005°
Cell volume	657.77 ± 0.09 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0385
Goodness-of-fit parameter for significantly intense reflections	2.194
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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