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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]

The molecular structures of ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-methyl-1H-pyrazole-4-carboxylate, C13H18N6O2, (I), and ethyl 5-amino-3-(4,6-dimethylpyrimidin-2-ylamino)-1-(2-nitrophenylsulfonyl)-1H-pyrazole-4-carboxylate, C18H19N7O6S, (II), have been determined. There are two intramolecular N—H…O bonds and one intermolecular N—H…O hydrogen bond in (I). The rings formed by the N—H…O hydrogen bonds are almost planar. In (II), three intramolecular N—H…O hydrogen bonds exist. [ABSTRACT FROM AUTHOR]

In the crystal structure of the title compound, C21H19N3OS, there are inter­molecular C—H⋯O hydrogen bonds. No π–π stacking inter­actions are observed. [ABSTRACT FROM AUTHOR]

In the crystal structure of the title compound, C22H21N3O2, the packing of the mol­ecules is mainly governed by inter­molecular C—H⋯O hydrogen bonds and π–π inter­actions. [ABSTRACT FROM AUTHOR]

In the title compound, C16H13F2NO3, the two benzene rings and all attached non-H atoms are indivdually planar. The two planes, viz. the benzene ring and the two substituent F atoms (A), and the benzene ring and the attached carbonyl C atom, oxy O atom and aromatic C atom (B), have largest deviations of -0.0278 (10) and 0.0272 (9) Å, respectively, and a dihedral angle between the planes of 37.78 (3)°. The dihedral angles between plane B and the methylaminocarbonyl and acetoxy groups are 61.83 (5) and 48.82 (8)°, respectively. [ABSTRACT FROM AUTHOR]

In the title molecule, C18H25N3O2S, the central thienopyrimidine ring system is essentially planar. The cyclohexene ring, in which the four CH2 groups are disordered in an approximately 1:1 ratio, adopts a half-chair conformation, while the morpholine ring is in a standard chair conformation. The butyl group is disordered in an approximately 2:1 ratio. In the crystal structure, weak intermolecular C—H⋯O hydrogen-bonding interactions stabilize the crystal structure. [ABSTRACT FROM AUTHOR]

In the title compound, C21H21N3OS, the three fused rings of the 1-benzothieno[3,2- d]pyrimidine system are almost coplanar. The crystal packing is stabilized by π–π stacking inter­actions and inter­molecular C—H⋯O hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the crystal structure of the title compound, C21H20N2O3, mol­ecules are stacked through inter­molecular π–π inter­actions. No significant hydrogen bonds are observed. [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 compound, C16H15F3N2O3, is composed of a 3-(tri­fluoro­methyl)­phenyl ring and a pyridazinone ring, which are approximately coplanar, and an ethyl acetate group on the pyridazinone ring. In the crystal structure, centrosymmetric­ally related mol­ecules form dimers through non-classical intermolecular C—H⋯O hydrogen bonds. [ABSTRACT FROM AUTHOR]

The tetra­hydro­pyrimidine ring of the title mol­ecule, C12H14N2OS, adopts a half-chair conformation. In the crystal structure, the mol­ecules are linked to form centrosymmetric­ally related hydrogen-bonded dimers. [ABSTRACT FROM AUTHOR]

In the title molecule, C18H18ClN5O2, the central pyrazole ring is perpendicular to the benzene ring and approximately perpendicular to the pyridazine ring [dihedral angles 89.9 (2) and 82.8 (2)°, respectively]. [ABSTRACT FROM AUTHOR]

In the crystal structure of the title compound, C9H9ClN4, there are non-classical intramolecular C—H⋯N hydrogen bonds and intermolecular C—H⋯π interactions. [ABSTRACT FROM AUTHOR]

The tetra­hydro­pyrimidine ring of the title mol­ecule, C11H11FN2OS, adopts a half-chair conformation. In the crystal structure, the mol­ecules are linked to form centrosymmetric hydrogen-bonded dimers. [ABSTRACT FROM AUTHOR]

In the title compound, C13H17N5O2, the dihedral angle angle between the pyrazole and pyridazine rings is 14.44 (8)°. The mol­ecules are linked into a chain along the b axis by C—H⋯O hydrogen bonds. [ABSTRACT FROM AUTHOR]

The title mol­ecule, C17H25N5O3S2, belongs to the family of bis-heterocycles. In the crystal structure, there are one intra- and two inter­molecular hydrogen bonds. One of the two pyrazole rings and the six-membered ring formed by the intra­molecular hydrogen bond are approximately coplanar. [ABSTRACT FROM AUTHOR]

The crystal structure of the title compound, C18H20N6O3, is stabilized by N—H⋯O and N—H⋯N hydrogen bonds. [ABSTRACT FROM AUTHOR]