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Di-aqua-di-isothiocyanato-tin(II)-bis(18-crown-6), Sn(NCS)2·2(18-crown-6)·2H2O – A supramolecular compound of a low-valent main group element with bent sandwich architecture Reuter, Hans 18-Crown-6 3c-4e-Bonds Tin(II) compounds Conformation analysis Supramolecular chemistry Single-crystal X-ray diffraction The crystal structure of the title compound, di-aqua-di-isothiocyanato-tin(II)-bis(18-crown-6), was determined by single crystal X-ray structure analysis. The compound crystallizes in the monoclinic space group C2/c with half a molecule of the point group C2 in the asymmetric unit. The supramolecular arrangement of the three different building blocks, a bent Sn(NCS)2 one, a water molecule, and an 18-crown-6 molecule exhibits a bent sandwich-like structure with an opening angle of 48.1(1)° referring to the least-squares planes through the oxygen atoms of the crown ether molecules. Bond lengths and angles within this aggregate indicate that the isothiocyanate groups bond to the central, bivalent tin atom via covalent 2e-2c-bonds based on two orthogonal p orbitals of the metal atom, and the oxygen atoms of the water molecules via a symmetrical 3c-4e bond by use of the third metal p orbital. The crown ether molecules do not have oxygen-tin contacts but are hydrogen-bonded to the water molecules. Their conformation has similarities with that of an ideal D3d conformation. Atlanta Publishing House LLC 2025-03-31 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion application/pdf text/plain https://www.eurjchem.com/index.php/eurjchem/article/view/2660 10.5155/eurjchem.16.1.1-6.2660 European Journal of Chemistry; Vol. 16 No. 1 (2025): March 2025; 1-6 2153-2257 2153-2249 eng https://www.eurjchem.com/index.php/eurjchem/article/view/2660/2894 https://www.eurjchem.com/index.php/eurjchem/article/view/2660/2876 Copyright (c) 2025 Hans Reuter https://creativecommons.org/licenses/by-nc/4.0