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The structures of methyl 5-[2-chloro-4-(trifluoromethyl)Phenoxy]-2-nitrobenzoate, C15H9ClF3N3O5, (I), methyl 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydro-pyrimidin-1-y1]benzoate, C14H10ClF3N2O4, (II), and 2-[4-chloro-2-fluoro-5(prop-2-ynyloxy)phenyl]-4-(trifluoromethyl)piperidine-2.6-dione, C15H10ClF4NO3, (III), are similar in their dihedral angles and in the distances between the farthest two atoms. There are two independent molecules in the structure of (I). The dihedral angles between the two aromatic rings in each molecule in (I), between the benzene and tetrahydropyrimidine rings in (II), and between the benzene ring and the five-atom planar portion of the piperidine-2,6-dione ring in (III) are 80.78 (11)189.75 (11), 89.13 (9) and 87.52 (13)°, respectively. The distances between the farthest two atoms, viz. O···F in the two molecules of (I), and Cl···F in (II) and (III), are 11.763 (7)111.953 (6), 10.734 (10) and 10.889 (9) Å, respectively. In all three crystal structures, the molecules are linked to generate sheets of molecules via C—H···O interactions. [ABSTRACT FROM AUTHOR]

The molecular structures of 2-[4-chloro-2-fluoro-5-(prop- 2-ynyloxy)phenyl]-1,3,4,5,6,7-hexahydroisoindole-1,3-dione, C17H13ClFNO3, (I). and the isomeric compound 2-[4-chloro-2-fluoro-5-(prop-2-ynyloxy)phenyl]-cis-1,3,3a,4,7,-7a-hexahydroisoindole-1,3-dione, (II), are, as anticipated, significantly different in their conformations and in the distances between the farthest two atoms. The six-membered ring of the 1,3,4,5,6,7-hexahydroisoindole-1,3-dione moiety in (I) adopts a half-chair conformation. The dihedral angle between the five-membered dione ring of (I) and the benzene ring is 50.96 (7)°. The six-membered ring of the cis-1,3,3a,4,7 ,7a-hexahydroisoindole-1,3-dione moiety in (II) adopts a boat conformation. The dihedral angle in (II) between the five-membered dione ring and the benzene ring is 61.03 (13)°. In the crystal structures, the molecules are linked by C—H··· hydrogen bonds and weak π-π interactions. Compound (I) is a much more potent herbicide than (II). The Cl···H distances between the farthest two atoms in (I) and (II) are 11.37 and 9.97 Å, respectively. [ABSTRACT FROM AUTHOR]

In the title compound, C19H27N3OS, the central thienopyrimidine ring system is essentially planar. The cyclohexene ring adopts a half-chair conformation, while the piperidine ring is in a standard chair conformation. There is an intramolecular C—H...O hydrogen bond, which stabilizes the molecular structure. The crystal packing is stabilized by C—H...π interactions. [ABSTRACT FROM AUTHOR]

The title mol­ecule, C11H9FN2O, was synthesized from 3,6-difluoro­pyridazine, benz­yl alcohol and sodium hydro­xide in CH3CN under reflux. The asymmetric unit contains two independent mol­ecules with nearly identical geometry. In the crystal structure, the mol­ecules are linked by weak inter­molecular C—H⋯F hydrogen bonds and C—H⋯π inter­actions. [ABSTRACT FROM AUTHOR]