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- W2050102575 abstract "The title compound, C 9 H 11 N 3 O 2 S, is a second monoclinic ( P 2 1 / c ) polymorph of the previously reported Cc form [Tan et al. (2008 b ). Acta Cryst. E 64 , o2224]. The molecule is non-planar, with the dihedral angle between the N 3 CS residue (r.m.s. deviation = 0.0816 Å) and the benzene ring being 21.36 (4)°. The conformation about the C=N bond [1.292 (2) Å] is E , the two N-bound H atoms are anti , and the inner hydroxy O-bound and outer amide N-bound H atoms form intramolecular hydrogen bonds to the imine N atom. Crucially, the H atom of the outer hydroxy group is approximately syn to the H atom of the benzene C atom connecting the two C atoms bearing the hydroxy substituents. This arrangement enables the formation of supramolecular tubes aligned along [010] and sustained by N—H...O, O—H...S and N—H...S hydrogen bonds; the tubes pack with no specific interactions between them. While the molecular structure in the Cc form is comparable, the H atom of the outer hydroxy group is approximately anti , rather than syn . This different orientation leads to the formation a three-dimensional architecture based on N—H...O and O—H...S hydrogen bonds." @default.
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- W2050102575 date "2015-01-01" @default.
- W2050102575 modified "2023-10-14" @default.
- W2050102575 title "Crystal structure of a new monoclinic polymorph of 2,4-dihydroxybenzaldehyde 4-methylthiosemicarbazone" @default.
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- W2050102575 doi "https://doi.org/10.1107/s2056989014026498" @default.
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