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Abstract <p>In the current work both 1,5-naphthalenedisulfonate stemmed salts are prepared and characterized by the single crystal X-ray diffraction (SC-XRD), spectroscopic (FTIR) and elemental analysis (EA), their melting points (m.p.s) are also recorded. By analyzing the noncovalent linkages and the supramolecular synthons, the structural and supramolecular aspects are elucidated in great detail. Both salts contain the hetero supramolecular synthons. Study of the crystal packings tells that there contain the N–H⋯O/N–H⋯S H-bonds between the 1,5-naphthalenedisulfonic acid, thiourea, and thiosemicarbazide in both the salts. For<b> 1 </b>the uncommon S–H⋯O hydrogen bond is formed and analysed. Besides the traditional hydrogen bonds, the auxiliary contacts embracing the CH–O, CH<sub>3</sub>–O, CH–S, O–S and the CH–π also functioned the paramount roles in the spatial stretchings. The Hirshfeld surface analysis (HSA) affords the extra views into the popularity of the diversified short contacts within the crystal structures. To summarize, the 2D sheet and 3D net are produced by the comprehensive non-covalent linkages.</p>

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Preparation and Crystal Structure Investigation of Two 1,5-Naphthalenedisulfonate Salts

  • 期刊论文

  • 发表日期：

    2026年2月1日

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  • Z. Li,
  • R. Wu,
  • L. Shi,
  • S. Jin,
  • R. Hong,
  • R. Gao,
  • H. Hong,
  • D. Wang

摘要

Abstract

In the current work both 1,5-naphthalenedisulfonate stemmed salts are prepared and characterized by the single crystal X-ray diffraction (SC-XRD), spectroscopic (FTIR) and elemental analysis (EA), their melting points (m.p.s) are also recorded. By analyzing the noncovalent linkages and the supramolecular synthons, the structural and supramolecular aspects are elucidated in great detail. Both salts contain the hetero supramolecular synthons. Study of the crystal packings tells that there contain the N–H⋯O/N–H⋯S H-bonds between the 1,5-naphthalenedisulfonic acid, thiourea, and thiosemicarbazide in both the salts. For 1 the uncommon S–H⋯O hydrogen bond is formed and analysed. Besides the traditional hydrogen bonds, the auxiliary contacts embracing the CH–O, CH3–O, CH–S, O–S and the CH–π also functioned the paramount roles in the spatial stretchings. The Hirshfeld surface analysis (HSA) affords the extra views into the popularity of the diversified short contacts within the crystal structures. To summarize, the 2D sheet and 3D net are produced by the comprehensive non-covalent linkages.