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Methyl 3-(4-{6-methyl-4-[3-(trifluoro-meth-yl)phen-yl]pyridazin-3-yl-oxy}phen-yl)propanoate.

Xiao YH, Zhu YQ, Zou XM, Hu FZ, Yang HZ - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: In the title compound, C(22)H(19)F(3)N(2)O(3), the benzene rings of the trifluoro-methyl-phenyl and benzoyl-phenyl groups form dihedral angles of 41.89 (10) and 67.44 (10)°, respectively, with the pyridazine ring.The methyl-propanoate group is nearly coplanar with the attached benzene ring [dihedral angle = 3.9 (2)°].The trifluoro-methyl group is disordered over two positions; the site-occupancy factors are ca 0.64 and 0.36.

View Article: PubMed Central - HTML - PubMed

Affiliation: State Key Laboratory and Institute of Elemento-Organic Chemistry, Nankai University, Tianjin 300071, People's Republic of China.

ABSTRACT
In the title compound, C(22)H(19)F(3)N(2)O(3), the benzene rings of the trifluoro-methyl-phenyl and benzoyl-phenyl groups form dihedral angles of 41.89 (10) and 67.44 (10)°, respectively, with the pyridazine ring. The methyl-propanoate group is nearly coplanar with the attached benzene ring [dihedral angle = 3.9 (2)°]. The trifluoro-methyl group is disordered over two positions; the site-occupancy factors are ca 0.64 and 0.36. In the crystal structure, inversion-related mol-ecules are linked through C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

No MeSH data available.


Related in: MedlinePlus

The molecular structure of the title compound, showing 30% probability displacement ellipsoids. Only one disorder component is shown.
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Fap1: The molecular structure of the title compound, showing 30% probability displacement ellipsoids. Only one disorder component is shown.


Methyl 3-(4-{6-methyl-4-[3-(trifluoro-meth-yl)phen-yl]pyridazin-3-yl-oxy}phen-yl)propanoate.

Xiao YH, Zhu YQ, Zou XM, Hu FZ, Yang HZ - Acta Crystallogr Sect E Struct Rep Online (2008)

The molecular structure of the title compound, showing 30% probability displacement ellipsoids. Only one disorder component is shown.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961364&req=5

Fap1: The molecular structure of the title compound, showing 30% probability displacement ellipsoids. Only one disorder component is shown.
Bottom Line: In the title compound, C(22)H(19)F(3)N(2)O(3), the benzene rings of the trifluoro-methyl-phenyl and benzoyl-phenyl groups form dihedral angles of 41.89 (10) and 67.44 (10)°, respectively, with the pyridazine ring.The methyl-propanoate group is nearly coplanar with the attached benzene ring [dihedral angle = 3.9 (2)°].The trifluoro-methyl group is disordered over two positions; the site-occupancy factors are ca 0.64 and 0.36.

View Article: PubMed Central - HTML - PubMed

Affiliation: State Key Laboratory and Institute of Elemento-Organic Chemistry, Nankai University, Tianjin 300071, People's Republic of China.

ABSTRACT
In the title compound, C(22)H(19)F(3)N(2)O(3), the benzene rings of the trifluoro-methyl-phenyl and benzoyl-phenyl groups form dihedral angles of 41.89 (10) and 67.44 (10)°, respectively, with the pyridazine ring. The methyl-propanoate group is nearly coplanar with the attached benzene ring [dihedral angle = 3.9 (2)°]. The trifluoro-methyl group is disordered over two positions; the site-occupancy factors are ca 0.64 and 0.36. In the crystal structure, inversion-related mol-ecules are linked through C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

No MeSH data available.


Related in: MedlinePlus