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6-Chloro-N-(2-meth-oxy-phen-yl)pyridazin-3-amine.

Ather AQ, Tahir MN, Khan MN, Khan MA, Athar MM - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The asymmetric unit of the title compound, C(11)H(10)ClN(3)O, contains two geometrically different mol-ecules, A and B, in both of which the pyridazine rings are essentially planar with r.m.s. deviations of 0.0137 and 0.0056Å, respectively.In mol-ecule A, the dihedral angle between the pyridazine and benzene rings is 6.5 (2)°, whereas in mol-ecule B it is 27.93 (7)°.In the crystal, the mol-ecules are linked into chains extending along [010] by C-H⋯N and C-H⋯Cl interactions.

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ABSTRACT
The asymmetric unit of the title compound, C(11)H(10)ClN(3)O, contains two geometrically different mol-ecules, A and B, in both of which the pyridazine rings are essentially planar with r.m.s. deviations of 0.0137 and 0.0056Å, respectively. In mol-ecule A, the dihedral angle between the pyridazine and benzene rings is 6.5 (2)°, whereas in mol-ecule B it is 27.93 (7)°. In mol-ecule B, an intramolecular N-H⋯O hydrogen bond forms an S(5) ring motif. In both molecules, S(6) ring motifs are present due to non-classical C-H⋯N hydrogen bonds. The π-π inter-actions between the pyridazine rings of A mol-ecules [3.4740 (13) Å] and B mol-ecules [3.4786 (17) Å] have very similar centroid-centroid separations. π-π Inter-actions also occur between the benzene rings of B mol-ecules with a centroid-centroid separation of 3.676 (2) Å and a slippage of 1.02 Å. In the crystal, the mol-ecules are linked into chains extending along [010] by C-H⋯N and C-H⋯Cl interactions.

No MeSH data available.


Related in: MedlinePlus

View of the title compound with the atom numbering scheme. The displacement ellipsoids are drawn at the 30% probability level. The H atoms are shown as small spheres of arbitrary radii.
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Fap1: View of the title compound with the atom numbering scheme. The displacement ellipsoids are drawn at the 30% probability level. The H atoms are shown as small spheres of arbitrary radii.


6-Chloro-N-(2-meth-oxy-phen-yl)pyridazin-3-amine.

Ather AQ, Tahir MN, Khan MN, Khan MA, Athar MM - Acta Crystallogr Sect E Struct Rep Online (2012)

View of the title compound with the atom numbering scheme. The displacement ellipsoids are drawn at the 30% probability level. The H atoms are shown as small spheres of arbitrary radii.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3275194&req=5

Fap1: View of the title compound with the atom numbering scheme. The displacement ellipsoids are drawn at the 30% probability level. The H atoms are shown as small spheres of arbitrary radii.
Bottom Line: The asymmetric unit of the title compound, C(11)H(10)ClN(3)O, contains two geometrically different mol-ecules, A and B, in both of which the pyridazine rings are essentially planar with r.m.s. deviations of 0.0137 and 0.0056Å, respectively.In mol-ecule A, the dihedral angle between the pyridazine and benzene rings is 6.5 (2)°, whereas in mol-ecule B it is 27.93 (7)°.In the crystal, the mol-ecules are linked into chains extending along [010] by C-H⋯N and C-H⋯Cl interactions.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The asymmetric unit of the title compound, C(11)H(10)ClN(3)O, contains two geometrically different mol-ecules, A and B, in both of which the pyridazine rings are essentially planar with r.m.s. deviations of 0.0137 and 0.0056Å, respectively. In mol-ecule A, the dihedral angle between the pyridazine and benzene rings is 6.5 (2)°, whereas in mol-ecule B it is 27.93 (7)°. In mol-ecule B, an intramolecular N-H⋯O hydrogen bond forms an S(5) ring motif. In both molecules, S(6) ring motifs are present due to non-classical C-H⋯N hydrogen bonds. The π-π inter-actions between the pyridazine rings of A mol-ecules [3.4740 (13) Å] and B mol-ecules [3.4786 (17) Å] have very similar centroid-centroid separations. π-π Inter-actions also occur between the benzene rings of B mol-ecules with a centroid-centroid separation of 3.676 (2) Å and a slippage of 1.02 Å. In the crystal, the mol-ecules are linked into chains extending along [010] by C-H⋯N and C-H⋯Cl interactions.

No MeSH data available.


Related in: MedlinePlus