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<p>The synthesis, X-ray crystallographic, and spectroscopic studies of <i>N</i>-(4-chlorophenyl)-6-[(4-chlorophenyl)carbamothioyl]pyridine-2-carboxamide (Cl-pcta) grown from EtOAc/ hexane (1:8) is reported. The compound crystallized in a monoclinic space group P 2<sub>1</sub>/c with a = 9.8905(4) Å, b = 21.5491(9) Å, c = 8.9818(4) Å, β = 111.1277(13)° and <i>V</i> = 1785.62(13) Å<sup>3</sup> with <i>Z</i> = 4. The structure of Cl-pcta is pseudo-planar with the Cl-aryl rings twisted in opposite directions out of the plane of the pyridyl ring. The packing of the molecules were stabilized by classical hydrogen bonding between NH and C = O/C = S groups. In the <sup>1</sup>H NMR the NH(C = O) and the NH(C = S) where observed at 9.44 and 11.19&#xa0;ppm, respectively. In the IR spectrum, the NH(C = O) and the NH(C = S) were also resolved and observed at 3216 and 3302&#xa0;cm<sup>–1</sup>, respectively; coherent with the asymmetrical nature of the molecule.</p> Graphical abstract <p></p>

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Synthesis, X-ray Crystallographic and Spectroscopic Studies of N-(4-Chlorophenyl)-6-[(4-Chlorophenyl)Carbamothioyl]Pyridine-2-Carboxamide

  • 期刊论文

  • 发表日期：

    2025年11月10日

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  • Mark A. W. Lawrence,
  • Crystal Thompson,
  • Colin D. McMillen,
  • Elizabeth Tonsel-White,
  • Alvin A. Holder

摘要

The synthesis, X-ray crystallographic, and spectroscopic studies of N-(4-chlorophenyl)-6-[(4-chlorophenyl)carbamothioyl]pyridine-2-carboxamide (Cl-pcta) grown from EtOAc/ hexane (1:8) is reported. The compound crystallized in a monoclinic space group P 21/c with a = 9.8905(4) Å, b = 21.5491(9) Å, c = 8.9818(4) Å, β = 111.1277(13)° and V = 1785.62(13) Å3 with Z = 4. The structure of Cl-pcta is pseudo-planar with the Cl-aryl rings twisted in opposite directions out of the plane of the pyridyl ring. The packing of the molecules were stabilized by classical hydrogen bonding between NH and C = O/C = S groups. In the 1H NMR the NH(C = O) and the NH(C = S) where observed at 9.44 and 11.19 ppm, respectively. In the IR spectrum, the NH(C = O) and the NH(C = S) were also resolved and observed at 3216 and 3302 cm–1, respectively; coherent with the asymmetrical nature of the molecule.

Graphical abstract