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  • 1
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    Crystal structure of fenbuconazole (2015)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2015-08-23
    Description: In the title compound, C19H17ClN4 [systematic name: (RS)-4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrile], which is the conazole fungicide fenbuconazole, the dihedral angles between the planes of the central benzene and the terminal chlorophenyl and triazole rings are 32.77 (5) and 32.97 (5)°, respectively. The C—C—C—C linkage between the tertiary C atom and the benzene ring has an anti orientation [torsion angle = 174.47 (12)°]. In the crystal, C—H...N hydrogen bonds and very weak C—Cl...π interactions [Cl...π = 3.7892 (9) Å] link adjacent molecules, forming two-dimensional networks lying parellel to the (101) plane. The planes are linked by weak π–π interactions [centroid–centroid separation = 3.8597 (9) Å], resulting in a three-dimensional architecture.
    Keywords: crystal structurefungicidefenbuconazoleC—Cl...π interactionsπ–π interactions
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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  • 2
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    Crystal structure of cafenstrole (2015)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2015-08-07
    Description: The title compound (systematic name: N,N-diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamide), C16H22N4O3S, is a triazole herbicide. The dihedral angle between the planes of the triazole and benzene ring planes is 88.14 (10)°. In the crystal, C—H...O hydrogen bonds and weak C—H...π interactions link adjacent molecules, forming one-dimensional chains along the a axis.
    Keywords: crystal structurecafenstroletriazoleherbicide,
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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  • 3
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    Crystal structure of oxadiargyl (2015)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2015-06-20
    Description: In the title compound [systematic name: 5-tert-butyl-3-[2,4-dichloro-5-(prop-2-ynyloxy)phenyl]-1,3,4-oxadiazol-2(3H)-one], C15H14Cl2N2O3, which is an oxadiazolone herbicide, the dihedral angle between the planes of the oxadiazolone and benzene rings is 65.84 (6)°. In the crystal, weak intermolecular Cl...Cl [3.3600 (7) Å] short contacts link adjacent molecules, forming chains along the b-axis direction. These chains are linked by C—H...O, C—H...N and C—H...Cl hydrogen bonds, generating a three-dimensional network. Weak C—H...π interactions are also present.
    Keywords: crystal structureoxadiargyl1,3,4-oxadiazoloneherbicidehydrogen bondingCl...Cl short contacts
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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  • 4
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    Crystal structure of the enol form of mesotrione: a benzoylcyclohexanedione herbicide (2015)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2015-07-09
    Description: The title compound [systematic name: 3-hydroxy-2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohex-2-enone], C14H13NO7S, is the enol form of a benzoylcyclohexanedione herbicide. As a result of this tautomerization, there is intramolecular O—H...O hydrogen bond enclosing an S(6) ring motif. The cyclohexene ring has an envelope conformation, with the central CH2 C atom as the flap. Its mean plane is inclined to the benzene ring by 87.46 (8)°. In the crystal, molecules are linked by a series of C—H...O hydrogen bonds, forming a three-dimensional framework.
    Keywords: crystal structuretautomerizationenol formintramolecular O—H...O hydrogen bond.
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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  • 5
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    Crystal structure of pyriproxyfen (2015)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2015-07-23
    Description: In the title compound {systematic name: 4-phenoxyphenyl (RS)-2-[(pyridin-2-yl)oxy]propyl ether}, C20H19NO3, which is a juvenile hormone mimic and insecticide, the dihedral angles between the plane of the central benene ring and those of the pendant pyridine ring and phenyl ring are 78.09 (6) and 82.14 (8)°, respectively. The conformation of the O—C—C—O linkage is gauche [torsion angle = −75.0 (2)°]. In the crystal, weak aromatic π–π stacking interactions [centroid–centroid separation = 3.8436 (13) Å] and C—H...π interactions link adjacent molecules, forming a three-dimensional network.
    Keywords: crystal structurepyriproxyfenetherjuvenile hormone mimicinsecticideπ–π stacking
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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  • 6
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    Crystal structure of nuarimol (2015)
    International Union of Crystallography (IUC)
    Details
    Publication Date: 2015-07-23
    Description: The title compound [systematic name: (RS)-(2-chlorophenyl)(4-fluorophenyl)(pyrimidin-5-yl)methanol], C17H12ClFN2O, is a pyrimidine fungicide. The asymmetric unit comprises two independent molecules, A and B, in which the dihedral angles between the plane of the pyrimidine ring and those of the chlorophenyl and fluorophenyl rings are 71.10 (6) and 70.04 (5)° in molecule A, and 73.24 (5) and 89.30 (5)° in molecule B. In the crystal, O—H...N hydrogen bonds link the components into [010] chains of alternating A and B molecules. The chains are cross-linked by C—H...F hydrogen bonds and weak C—H...π and C—Cl...π [Cl...ring centroid = 3.7630 (8) Å] interactions, generating a three-dimensional network.
    Keywords: crystal structurenuarimolpyrimidine fungicidehydrogen bonding
    Electronic ISSN: 1600-5368
    Topics: Chemistry and Pharmacology , Geosciences
    Published by International Union of Crystallography (IUC)
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