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(E)-N'-(2,3,4-Trihy-droxy-benzyl-idene)-isonicotinohydrazide dihydrate.

Naveenkumar HS, Sadikun A, Ibrahim P, Goh JH, Fun HK - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: In the crystal, inter-molecular O-H⋯N, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into two-dimensional arrays lying parallel to the (10) plane.These arrays are further inter-connected into a three-dimensional extended network via O-H⋯O and C-H⋯O hydrogen bonds.A weak inter-molecular π-π inter-action [centroid-to-centroid distance = 3.5627 (5) Å] is also observed.

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ABSTRACT
In the title isoniazid derivative, C(13)H(11)N(3)O(4)·2H(2)O, the Schiff base mol-ecule exists in an E configuration with respect to the acyclic C=N bond. An intra-molecular O-H⋯N hydrogen bond forms a six-membered ring, producing an S(6) ring motif. The essentially planar pyridine ring [maximum deviation = 0.0119 (8) Å] is inclined at a dihedral angle of 7.30 (4)° with respect to the benzene ring. In the crystal, inter-molecular O-H⋯N, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into two-dimensional arrays lying parallel to the (10) plane. These arrays are further inter-connected into a three-dimensional extended network via O-H⋯O and C-H⋯O hydrogen bonds. A weak inter-molecular π-π inter-action [centroid-to-centroid distance = 3.5627 (5) Å] is also observed.

No MeSH data available.


The asymmetric unit of the title isoniazid derivative, showing 50% probability displacement ellipsoids for non-H atoms and the atom-numbering scheme. An intramolecular hydrogen bond is shown as dashed line.
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Fap1: The asymmetric unit of the title isoniazid derivative, showing 50% probability displacement ellipsoids for non-H atoms and the atom-numbering scheme. An intramolecular hydrogen bond is shown as dashed line.


(E)-N'-(2,3,4-Trihy-droxy-benzyl-idene)-isonicotinohydrazide dihydrate.

Naveenkumar HS, Sadikun A, Ibrahim P, Goh JH, Fun HK - Acta Crystallogr Sect E Struct Rep Online (2010)

The asymmetric unit of the title isoniazid derivative, showing 50% probability displacement ellipsoids for non-H atoms and the atom-numbering scheme. An intramolecular hydrogen bond is shown as dashed line.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3009032&req=5

Fap1: The asymmetric unit of the title isoniazid derivative, showing 50% probability displacement ellipsoids for non-H atoms and the atom-numbering scheme. An intramolecular hydrogen bond is shown as dashed line.
Bottom Line: In the crystal, inter-molecular O-H⋯N, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into two-dimensional arrays lying parallel to the (10) plane.These arrays are further inter-connected into a three-dimensional extended network via O-H⋯O and C-H⋯O hydrogen bonds.A weak inter-molecular π-π inter-action [centroid-to-centroid distance = 3.5627 (5) Å] is also observed.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title isoniazid derivative, C(13)H(11)N(3)O(4)·2H(2)O, the Schiff base mol-ecule exists in an E configuration with respect to the acyclic C=N bond. An intra-molecular O-H⋯N hydrogen bond forms a six-membered ring, producing an S(6) ring motif. The essentially planar pyridine ring [maximum deviation = 0.0119 (8) Å] is inclined at a dihedral angle of 7.30 (4)° with respect to the benzene ring. In the crystal, inter-molecular O-H⋯N, O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into two-dimensional arrays lying parallel to the (10) plane. These arrays are further inter-connected into a three-dimensional extended network via O-H⋯O and C-H⋯O hydrogen bonds. A weak inter-molecular π-π inter-action [centroid-to-centroid distance = 3.5627 (5) Å] is also observed.

No MeSH data available.