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(E)-3,4-Dihydroxy-benzaldehyde 4-ethyl-thio-semicarbazone.

Kayed SF, Farina Y, Baba I, Simpson J - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: The mol-ecule is essentially planar, with an r.m.s. deviation through all non-H atoms of 0.0862 Å.An intra-molecular N-H⋯N hydrogen bond forms between the outer amine residue and the imine N atom, generating an S(5) ring motif and contributing to the planarity of the mol-ecule.In the crystal structure, an extensive network of classical O-H⋯O, O-H⋯S and N-H⋯S hydrogen bonds and weak C-H⋯O and S⋯O [3.301 (3) Å] inter-actions link mol-ecules into sheets running approximately parallel to the ab plane.

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ABSTRACT
The title compound, C(10)H(13)N(3)O(2)S, was prepared by condensation of 3,4-dihydroxy-benzaldehyde with 4-ethyl-3-thio-semicarbazide. The mol-ecule adopts an E configuration with respect to the C=N bond. One of the OH substituents on the dihydroxy-benzene ring is disordered over the two possible 3-positions on either side of the ordered 4-hydr-oxy group. The occupancy of the major disorder component refined to 0.633 (7). The mol-ecule is essentially planar, with an r.m.s. deviation through all non-H atoms of 0.0862 Å. An intra-molecular N-H⋯N hydrogen bond forms between the outer amine residue and the imine N atom, generating an S(5) ring motif and contributing to the planarity of the mol-ecule. In the crystal structure, an extensive network of classical O-H⋯O, O-H⋯S and N-H⋯S hydrogen bonds and weak C-H⋯O and S⋯O [3.301 (3) Å] inter-actions link mol-ecules into sheets running approximately parallel to the ab plane.

No MeSH data available.


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Crystal packing of (I) viewed down the b axis with hydrogen bonds drawn as dashed lines.
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Fap2: Crystal packing of (I) viewed down the b axis with hydrogen bonds drawn as dashed lines.


(E)-3,4-Dihydroxy-benzaldehyde 4-ethyl-thio-semicarbazone.

Kayed SF, Farina Y, Baba I, Simpson J - Acta Crystallogr Sect E Struct Rep Online (2008)

Crystal packing of (I) viewed down the b axis with hydrogen bonds drawn as dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961087&req=5

Fap2: Crystal packing of (I) viewed down the b axis with hydrogen bonds drawn as dashed lines.
Bottom Line: The mol-ecule is essentially planar, with an r.m.s. deviation through all non-H atoms of 0.0862 Å.An intra-molecular N-H⋯N hydrogen bond forms between the outer amine residue and the imine N atom, generating an S(5) ring motif and contributing to the planarity of the mol-ecule.In the crystal structure, an extensive network of classical O-H⋯O, O-H⋯S and N-H⋯S hydrogen bonds and weak C-H⋯O and S⋯O [3.301 (3) Å] inter-actions link mol-ecules into sheets running approximately parallel to the ab plane.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title compound, C(10)H(13)N(3)O(2)S, was prepared by condensation of 3,4-dihydroxy-benzaldehyde with 4-ethyl-3-thio-semicarbazide. The mol-ecule adopts an E configuration with respect to the C=N bond. One of the OH substituents on the dihydroxy-benzene ring is disordered over the two possible 3-positions on either side of the ordered 4-hydr-oxy group. The occupancy of the major disorder component refined to 0.633 (7). The mol-ecule is essentially planar, with an r.m.s. deviation through all non-H atoms of 0.0862 Å. An intra-molecular N-H⋯N hydrogen bond forms between the outer amine residue and the imine N atom, generating an S(5) ring motif and contributing to the planarity of the mol-ecule. In the crystal structure, an extensive network of classical O-H⋯O, O-H⋯S and N-H⋯S hydrogen bonds and weak C-H⋯O and S⋯O [3.301 (3) Å] inter-actions link mol-ecules into sheets running approximately parallel to the ab plane.

No MeSH data available.


Related in: MedlinePlus