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

doi:10.1107/S2056989014026942

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

Chemistry

Research output: Contribution to journal › Article › peer-review

2 Citations (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 language	English
Pages (from-to)	o43-o44
Number of pages	2
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	71
Issue number	1
DOIs	https://doi.org/10.1107/S2056989014026942
Publication status	Published - 1 Jan 2015

Keywords

Biological activity
Crystal structure
Ester
Hydrogen bonding
Thiosemicarbazones derivatives

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

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.",

keywords = "Biological activity, Crystal structure, Ester, Hydrogen bonding, Thiosemicarbazones derivatives",

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.",

year = "2015",

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doi = "10.1107/S2056989014026942",

language = "English",

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T1 - Crystal structure of (E)-4-{1-[2-(car-bamothioyl)hydrazin-1-ylidene]ethyl}-phenyl 4-methylbenzoate

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.

PY - 2015/1/1

Y1 - 2015/1/1

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.

KW - Biological activity

KW - Crystal structure

KW - Ester

KW - Hydrogen bonding

KW - Thiosemicarbazones derivatives

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DO - 10.1107/S2056989014026942

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AN - SCOPUS:84928102788

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SP - o43-o44

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

SN - 1600-5368

IS - 1

ER -

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

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Keywords

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