1-(2,4,6-Trioxo-1,3-diazinan-5-ylidene)thiosemicarbazide

Bittencourt, Viviane Conceição Duarte de; Gervini, Vanessa Carratú; Bresolin, Leandro; Locatelli, Aline; Oliveira, Adriano Bof de

doi:10.1107/s1600536812012007

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2012

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“…The trans conformation for the thiosemicarbazone fragment is also observed in other structures (Pederzolli et al, 2011 andBittencourt et al, 2012).…”

Section: Methodssupporting

confidence: 65%

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2-(1,2,3,4-Tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide

et al. 2012

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Key indicators: single-crystal X-ray study; T = 293 K; mean (C-C) = 0.003 Å; R factor = 0.045; wR factor = 0.126; data-to-parameter ratio = 17.7.The molecular structure of the title compound, C 11 H 13 N 3 S, is not planar: the maximum deviation from the mean plane of the non-H atoms is 0.521 (2) Å for an aliphatic C atom, which corresponds to an envelope conformation for the nonaromatic ring. The hydrazinecarbothioamide substituent and the benzene ring have maximum deviations from the mean planes through the non-H atoms of 0.0288 (16) and 0.0124 (27) Å , respectively, and the dihedral angle between the two planes is 8.84 (13) . In the crystal, molecules are linked into chains along [110] by pairs of N-HÁ Á ÁS hydrogen bonds between molecules related by centres of symmetry. Related literature

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“…The trans conformation for the thiosemicarbazone fragment is also observed in other structures (Pederzolli et al, 2011 andBittencourt et al, 2012).…”

Section: Methodssupporting

confidence: 65%

“…For crystal structures of other thiosemicarbazone derivatives with pharmacological activity, see: Pederzolli et al (2011);Bittencourt et al (2012).…”

Section: Related Literaturementioning

confidence: 99%