Crystal structure of (E)-4-{1-[2-(car-bamothioyl)hydrazin-1-ylidene]ethyl}-phenyl 4-methylbenzoate

Karthik Ananth Mani, Vijayan Viswanathan, S. Narasimhan, Devadasan Velmurugan*, W. T A Harrison (Editor)

*Corresponding author for this work

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The asymmetric unit of the title compound, C17H17N3O2S, consists of two independent molecules, A and B, with different conformations: in molecule A, the dihedral angles between the central benzene ring and the pendant tolyl and carbamothio-ylhydrazono groups are 71.12 (9) and 5.95 (8)°, respectively. The corresponding angles in molecule B are 50.56 (12) and 26.43 (11)°, respectively. Both molecules feature an intramolecular N - H⋯N hydrogen bond, which closes an S(5) ring. In the crystal, molecules are linked by N - H⋯O, N - H⋯S and C - H⋯O hydrogen bonds, generating a three-dimensional network.

Original languageEnglish
Pages (from-to)o43-o44
Number of pages2
JournalActa Crystallographica Section E: Structure Reports Online
Volume71
Issue number1
DOIs
Publication statusPublished - 1 Jan 2015

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Railroad cars
Crystal structure
crystal structure
Molecules
molecules
Hydrogen bonds
hydrogen bonds
rings
Dihedral angle
Benzene
Conformations
dihedral angle
benzene
4-toluic acid
Crystals
crystals

Keywords

  • Biological activity
  • Crystal structure
  • Ester
  • Hydrogen bonding
  • Thiosemicarbazones derivatives

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

Crystal structure of (E)-4-{1-[2-(car-bamothioyl)hydrazin-1-ylidene]ethyl}-phenyl 4-methylbenzoate. / Mani, Karthik Ananth; Viswanathan, Vijayan; Narasimhan, S.; Velmurugan, Devadasan; Harrison, W. T A (Editor).

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 71, No. 1, 01.01.2015, p. o43-o44.

Research output: Contribution to journalArticle

Mani, Karthik Ananth ; Viswanathan, Vijayan ; Narasimhan, S. ; Velmurugan, Devadasan ; Harrison, W. T A (Editor). / Crystal structure of (E)-4-{1-[2-(car-bamothioyl)hydrazin-1-ylidene]ethyl}-phenyl 4-methylbenzoate. In: Acta Crystallographica Section E: Structure Reports Online. 2015 ; Vol. 71, No. 1. pp. o43-o44.
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abstract = "The asymmetric unit of the title compound, C17H17N3O2S, consists of two independent molecules, A and B, with different conformations: in molecule A, the dihedral angles between the central benzene ring and the pendant tolyl and carbamothio-ylhydrazono groups are 71.12 (9) and 5.95 (8)°, respectively. The corresponding angles in molecule B are 50.56 (12) and 26.43 (11)°, respectively. Both molecules feature an intramolecular N - H⋯N hydrogen bond, which closes an S(5) ring. In the crystal, molecules are linked by N - H⋯O, N - H⋯S and C - H⋯O hydrogen bonds, generating a three-dimensional network.",
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author = "Mani, {Karthik Ananth} and Vijayan Viswanathan and S. Narasimhan and Devadasan Velmurugan and Harrison, {W. T A}",
note = "Acknowledgements The authors thank the TBI X-ray facility, CAS in Crystallography and Biophysics, University of Madras, India, for the data collection. VV thanks the DBT, Government of India, for providing a fellowship.",
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AU - Mani, Karthik Ananth

AU - Viswanathan, Vijayan

AU - Narasimhan, S.

AU - Velmurugan, Devadasan

A2 - Harrison, W. T A

N1 - Acknowledgements The authors thank the TBI X-ray facility, CAS in Crystallography and Biophysics, University of Madras, India, for the data collection. VV thanks the DBT, Government of India, for providing a fellowship.

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N2 - The asymmetric unit of the title compound, C17H17N3O2S, consists of two independent molecules, A and B, with different conformations: in molecule A, the dihedral angles between the central benzene ring and the pendant tolyl and carbamothio-ylhydrazono groups are 71.12 (9) and 5.95 (8)°, respectively. The corresponding angles in molecule B are 50.56 (12) and 26.43 (11)°, respectively. Both molecules feature an intramolecular N - H⋯N hydrogen bond, which closes an S(5) ring. In the crystal, molecules are linked by N - H⋯O, N - H⋯S and C - H⋯O hydrogen bonds, generating a three-dimensional network.

AB - The asymmetric unit of the title compound, C17H17N3O2S, consists of two independent molecules, A and B, with different conformations: in molecule A, the dihedral angles between the central benzene ring and the pendant tolyl and carbamothio-ylhydrazono groups are 71.12 (9) and 5.95 (8)°, respectively. The corresponding angles in molecule B are 50.56 (12) and 26.43 (11)°, respectively. Both molecules feature an intramolecular N - H⋯N hydrogen bond, which closes an S(5) ring. In the crystal, molecules are linked by N - H⋯O, N - H⋯S and C - H⋯O hydrogen bonds, generating a three-dimensional network.

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KW - Hydrogen bonding

KW - Thiosemicarbazones derivatives

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