Crystallography Open Database

Information card for entry 2212899

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Structure parameters

Chemical name	4-(Methylsulfanyl)benzamide oxime
Formula	C8 H10 N2 O S
Calculated formula	C8 H10 N2 O S
SMILES	S(C)c1ccc(cc1)C(N)=NO
Title of publication	4-(Methylsulfanyl)benzamide oxime
Authors of publication	Wang, Hai-Bo; Xing, Zhi-Tao; Ding, Wei-Lin; Yin, Jun; Wang, Pin-Liang
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	4
Pages of publication	o1834 - o1835
a	10.221 ± 0.002 Å
b	11.882 ± 0.002 Å
c	17.12 ± 0.003 Å
α	74.12 ± 0.03°
β	72.91 ± 0.03°
γ	64.94 ± 0.03°
Cell volume	1773.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.085
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1167
Weighted residual factors for all reflections included in the refinement	0.1427
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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