organic compounds
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The title compound, C23H32N2OS, is a thiourea-based insecticide. The dihedral angle between the phenyl ring and the diisopropyl benzene ring plane is 73.18 (6)°, while that between the plane of the thiourea group and the diisopropyl benzene ring is 86.00 (5)°. Disorder was modelled for the S atom and the two methyl C atoms of the isopropyl group over two sets of sites with an occupancy ratio of 0.742 (4):0.258 (4). In the crystal, N—HS hydrogen bonds link adjacent molecules, forming R22(8) inversion dimers that pack into chains along the b-axis direction.
Keywords: crystal structure.
data reports
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The title compound [systematic name: 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine], C9H5Cl3N4, is a triazine fungicide. The dihedral angle between the planes of the triazine and benzene rings is 4.04 (8)°. In the crystal, two weak C—HN hydrogen bonds and short ClCl contacts [3.4222 (4) Å] link adjacent molecules, forming two-dimensional networks parellel to the (112) plane. The planes are linked by weak intermolecular π–π interactions [3.6428 (5) and 3.6490 (5) Å], resulting in a three-dimensional architecture.
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The title compound, C21H11ClF6N2O3 (systematic name: 1-{4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl}-3-(2,6-difluorobenzoyl)urea), is a benzoylurea pesticide. The dihedral angles between the central fluorobenzene ring and the terminal difluorophenyl ring and chlorophenyl ring system are 62.15 (5) and 88.03 (5)°, respectively. In the crystal, N—HO hydrogen bonds link adjacent molecules, forming R22(8) inversion dimers that pack into loop chains along the a-axis direction by short FF contacts [2.729 (2) Å]. In addition, the chains are linked by weak C—Hπ and π–π interactions [inter-centroid distances = 3.661 (2) and 3.535 (12) Å], resulting in a three-dimensional architecture.
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The title compound, C10H13Cl2FN2O2S2 {systematic name: N-[(dichlorofluoromethyl)sulfanyl]-N′,N′-dimethyl-N-p-tolylsulfamide}, is a well known fungicide. The dihedral angle between the mean plane of the dimethylamino group and that of the benzene ring is 32.3 (3)°. One Cl atom and one F atom of the dichlorofluoromethylthio group are disordered over two sets of sites with an occupancy ratio of 0.605 (9):0.395 (9). In the crystal structure, two C—HCl hydrogen bonds link adjacent molecules, forming dimers with R22(14) loops. C—HO hydrogen bonds link pairs of dimers into chains along the b-axis direction. These chains are joined by an additional C—HO contact, generating a sheet in the ab plane.
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The whole molecule of the title compound, C14H8Cl2N4, is generated by inversion symmetry. The dihedral angle between the 2-chlorophenyl ring and the tetrazine ring is 47.65 (5)°. In the crystal, molecules are linked by slipped parallel π–π interactions [centroid–centroid distance = 3.8199 (5), normal distance = 3.3127 (8), slippage 1.902 Å] forming columns along the a-axis direction.
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In the title compound difenoconazole [systematic name: 1-({2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl}methyl)-1H-1,2,4-triazole], C19H17Cl2N3O3, the dihedral angle between the planes of the 4-chlorophenyl and 2-chlorophenyl rings is 79.34 (9)°, while the dihedral angle between the planes of the triazole ring and the dioxolanyl group is 59.45 (19)°. In the crystal, pairs of C—HN hydrogen bonds link adjacent molecules, forming dimers with R22(6) loops. In addition, the dimers are linked by C—HO hydrogen bonds, resulting in a three-dimensional architecture. Disorder was modeled for one C atom of the dioxolanyl group over two sets of sites with an occupancy ratio of 0.566 (17):0.434 (17).
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In the title compound [systematic name: cyano(3-phenoxyphenyl)methyl 2,2,3,3-tetramethylcyclopropanecarboxylate], C22H23NO3, which is the pyrethroid insecticide fenpropathrin, the dihedral angle between the cyclopropane ring plane and the carboxylate group plane is 88.25 (11)°. The dihedral angle between the benzene and phenyl rings in the phenoxybenzyl group is 82.99 (4)°. In the crystal, C—HN hydrogen bonds and weak C—Hπ interactions link adjacent molecules, forming loop chains along the b-axis direction.