Acta Crystallographica Section C

Crystal Structure Communications

Volume 64, Part 10 (October 2008)

organic compounds

 

Two thiosemicarbazones derived from salicylaldehyde: very specific hydrogen-bonding interactions of the N-HS=C type

M. Rubcic, I. Ðilovic, M. Cindric and D. Matkovic-Calogovic

Abstract: The molecular structures of two salicylaldehyde thiosemicarbazone derivatives, namely salicylaldehyde 4-phenylthiosemicarbazone, C₁₄H₁₃N₃OS, (I), and 4-methoxysalicylaldehyde 4-phenylthiosemicarbazone, C₁₅H₁₅N₃O₂S, (II), both of potential pharmacological interest, are found in the keto (thione) tautomeric form. The first compound represents a second triclinic polymorph of composition -C₁₄H₁₃N₃OS. Although both polymorphs crystallize in the same space group (P), the -polymorph [Seena, Kurup & Suresh (2008). J. Chem. Crystallogr. 38, 93-96] differs from the form in its unit-cell volume at 293 K. The molecules in the crystal structures of (I) and (II) are linked into centrosymmetric R²₂(8) dimers by hydrogen bonds of the N-HS=C type. These dimers are connected through - stacking and T-shaped C-H interactions into three-dimensional networks.

Formula: C₁₄H₁₃N₃OS and C₁₅H₁₅N₃O₂S

	Structure factor file (CIF format) (224.4 kbytes) [ doi:10.1107/S0108270108029016/av3157Isup2.hkl ] Contains datablock I
	Structure factor file (CIF format) (124.6 kbytes) [ doi:10.1107/S0108270108029016/av3157IIsup3.hkl ] Contains datablock II

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