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4-[(2,4-Dihydroxy-benzyl-idene)ammonio]benzene-sulfonate trihydrate.

Yeap CS, Hemamalini M, Fun HK - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: An intra-molecular N-H⋯O hydrogen bond stabilizes the mol-ecular structure.The three water mol-ecules link these chains into a three-dimensional framework by additional inter-molecular O-H⋯O hydrogen bonds.A π⋯π inter-action [3.5485 (9) Å] further stabilizes the crystal structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.

ABSTRACT
The title Schiff base compound, C(13)H(11)NO(5)S·3H(2)O, formed from sulfanilic acid and 2,4-dihydroxy-benzaldehyde, crystallized out as a zwitterion with the N atom protonated. The asymmetric unit consists of one 4-[(2,4-dihydroxy-benzyl-idene)ammonio]benzene-sulfonate and three water mol-ecules. The zwitterion exists in an E configuration with respect to the central C=N double bond. The two benzene rings of the mol-ecule are oriented at a dihedral angle of 27.33 (8)°. An intra-molecular N-H⋯O hydrogen bond stabilizes the mol-ecular structure. In the crystal, the zwitterions are linked into chains along [101] by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds. The three water mol-ecules link these chains into a three-dimensional framework by additional inter-molecular O-H⋯O hydrogen bonds. A π⋯π inter-action [3.5485 (9) Å] further stabilizes the crystal structure.

No MeSH data available.


The molecular structure of (I) with atom labels and 50% probability ellipsoids for non-H atoms. The intramolecular hydrogen bond is shown as a dashed line.
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Fap1: The molecular structure of (I) with atom labels and 50% probability ellipsoids for non-H atoms. The intramolecular hydrogen bond is shown as a dashed line.


4-[(2,4-Dihydroxy-benzyl-idene)ammonio]benzene-sulfonate trihydrate.

Yeap CS, Hemamalini M, Fun HK - Acta Crystallogr Sect E Struct Rep Online (2010)

The molecular structure of (I) with atom labels and 50% probability ellipsoids for non-H atoms. The intramolecular hydrogen bond is shown as a dashed line.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2983714&req=5

Fap1: The molecular structure of (I) with atom labels and 50% probability ellipsoids for non-H atoms. The intramolecular hydrogen bond is shown as a dashed line.
Bottom Line: An intra-molecular N-H⋯O hydrogen bond stabilizes the mol-ecular structure.The three water mol-ecules link these chains into a three-dimensional framework by additional inter-molecular O-H⋯O hydrogen bonds.A π⋯π inter-action [3.5485 (9) Å] further stabilizes the crystal structure.

View Article: PubMed Central - HTML - PubMed

Affiliation: X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.

ABSTRACT
The title Schiff base compound, C(13)H(11)NO(5)S·3H(2)O, formed from sulfanilic acid and 2,4-dihydroxy-benzaldehyde, crystallized out as a zwitterion with the N atom protonated. The asymmetric unit consists of one 4-[(2,4-dihydroxy-benzyl-idene)ammonio]benzene-sulfonate and three water mol-ecules. The zwitterion exists in an E configuration with respect to the central C=N double bond. The two benzene rings of the mol-ecule are oriented at a dihedral angle of 27.33 (8)°. An intra-molecular N-H⋯O hydrogen bond stabilizes the mol-ecular structure. In the crystal, the zwitterions are linked into chains along [101] by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds. The three water mol-ecules link these chains into a three-dimensional framework by additional inter-molecular O-H⋯O hydrogen bonds. A π⋯π inter-action [3.5485 (9) Å] further stabilizes the crystal structure.

No MeSH data available.