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Crystal structure of (E)-2-[4-(4-hy-droxy-phen-yl)butan-2-yl-idene]hydrazine-1-carbo-thio-amide.


ABSTRACT: The title compound, C11H15N3OS, is a thio-semicarbazone derivative of the raspberry ketone rheosmin [systematic name: 4-(4-hy-droxy-phen-yl)butane-2-one]. The mol-ecule deviates from planarity, with the bridging C-C-C=N torsion angle equal to -101.3?(2)°. The maximum deviation from the mean plane of the non-H atoms of the thio-semicarbazone fragment [C=N-N-C(= S)-N] is 0.085?(5)?Å for the Schiff base N atom, and the dihedral angle between this mean plane and the aromatic ring is 50.31?(8)°. In the crystal, mol-ecules are linked by N-H?O, N-H?S and O-H?S hydrogen bonds, forming a three-dimensional structure, with the mol-ecules stacked along [011].

SUBMITTER: de Oliveira AB 

PROVIDER: S-EPMC4331873 | biostudies-other | 2015 Jan

REPOSITORIES: biostudies-other

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Crystal structure of (E)-2-[4-(4-hy-droxy-phen-yl)butan-2-yl-idene]hydrazine-1-carbo-thio-amide.

de Oliveira Adriano Bof AB   Beck Johannes J   Landvogt Christian C   Feitosa Bárbara Regina Santos BR   Rocha Fillipe Vieira FV  

Acta crystallographica. Section E, Crystallographic communications 20150101 Pt 1


The title compound, C11H15N3OS, is a thio-semicarbazone derivative of the raspberry ketone rheosmin [systematic name: 4-(4-hy-droxy-phen-yl)butane-2-one]. The mol-ecule deviates from planarity, with the bridging C-C-C=N torsion angle equal to -101.3 (2)°. The maximum deviation from the mean plane of the non-H atoms of the thio-semicarbazone fragment [C=N-N-C(= S)-N] is 0.085 (5) Å for the Schiff base N atom, and the dihedral angle between this mean plane and the aromatic ring is 50.31 (8)°. In t  ...[more]

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