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Ethyl 3-[2-(p-tolyl-carbamothio-yl)hydrazinyl-idene]butano-ate.

Zhang YL, Hou XF, Zhang FJ, Yang FL - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: The almost planar thio-semicarbazide unit (r.m.s. deviation = 0.0130 Å) is tilted at a dihedral angle of 49.54 (12)° with respect to the benzene ring.Inter-molecular N-H⋯N and N-H⋯S hydrogen bonding stabilizes the crystal structure.The eth-oxy group of the ester unit is disordered over two positions, with a site-occupancy ratio of 0.680 (10):0.320 (10).

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Affiliation: College of Chemistry and Chemical Engineering, Xuchang University, Henan 461000, People's Republic of China.

ABSTRACT
The title compound, C(14)H(19)N(3)O(2)S, was obtained from a condensation reaction of N-(p-tol-yl)hydrazinecarbothio-amide and ethyl acetoacetate. The mol-ecule assumes an E configuration; the thio-semicarbazide and ester groups are located on the opposite sides of the C=N bond. The almost planar thio-semicarbazide unit (r.m.s. deviation = 0.0130 Å) is tilted at a dihedral angle of 49.54 (12)° with respect to the benzene ring. Inter-molecular N-H⋯N and N-H⋯S hydrogen bonding stabilizes the crystal structure. The eth-oxy group of the ester unit is disordered over two positions, with a site-occupancy ratio of 0.680 (10):0.320 (10).

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the title compound, with displacement ellipsoids drawn at 30% probability level.
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Fap1: The molecular structure of the title compound, with displacement ellipsoids drawn at 30% probability level.


Ethyl 3-[2-(p-tolyl-carbamothio-yl)hydrazinyl-idene]butano-ate.

Zhang YL, Hou XF, Zhang FJ, Yang FL - Acta Crystallogr Sect E Struct Rep Online (2010)

The molecular structure of the title compound, with displacement ellipsoids drawn at 30% probability level.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3009117&req=5

Fap1: The molecular structure of the title compound, with displacement ellipsoids drawn at 30% probability level.
Bottom Line: The almost planar thio-semicarbazide unit (r.m.s. deviation = 0.0130 Å) is tilted at a dihedral angle of 49.54 (12)° with respect to the benzene ring.Inter-molecular N-H⋯N and N-H⋯S hydrogen bonding stabilizes the crystal structure.The eth-oxy group of the ester unit is disordered over two positions, with a site-occupancy ratio of 0.680 (10):0.320 (10).

View Article: PubMed Central - HTML - PubMed

Affiliation: College of Chemistry and Chemical Engineering, Xuchang University, Henan 461000, People's Republic of China.

ABSTRACT
The title compound, C(14)H(19)N(3)O(2)S, was obtained from a condensation reaction of N-(p-tol-yl)hydrazinecarbothio-amide and ethyl acetoacetate. The mol-ecule assumes an E configuration; the thio-semicarbazide and ester groups are located on the opposite sides of the C=N bond. The almost planar thio-semicarbazide unit (r.m.s. deviation = 0.0130 Å) is tilted at a dihedral angle of 49.54 (12)° with respect to the benzene ring. Inter-molecular N-H⋯N and N-H⋯S hydrogen bonding stabilizes the crystal structure. The eth-oxy group of the ester unit is disordered over two positions, with a site-occupancy ratio of 0.680 (10):0.320 (10).

No MeSH data available.


Related in: MedlinePlus