68 research outputs found
1-(4-Bromo-3-chlorophenyl)-3-methoxy-3-methylurea (chlorbromuron)
In the title urea-based herbicide, C9H10BrClN2O2, there exist multiple inter- and intramolecular interactions. Most notably, the intramolecular hydrogen bond between the urea carbonyl O atom and an aromatic H atom affects the planarity and torsion angles of the molecule by restricting rotations about the Ar—secondary amine N and the secondary amine N and the carbonyl C. The two N atoms in the urea fragment are in different environments. One is planar; the other, pseudo-C
3v. It is likely that the different nitrogen-atom geometries and the restricted rotations within the molecule impact the bioactivity of chlorbromuron
2-Methyl-4,4-dioxo-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide (Oxycarboxin)
In the title compound, C12H13NO4S, a systemic fungicide, the heterocycle adopts a lounge chair conformation and the dihedral angle between the ring planes is 25.8 (2)°. Intermolecular C—H⋯O hydrogen bonds are noted in the crystal structure. Also observed is a short interaction of a methylene hydrogen atom with the π-electron system of a phenyl ring in an adjacent molecule
Chlorido(η4-1,5-cyclooctadiene)[(pentafluoroethyl)diphenylphosphane]iridium(I)
The title structure,[IrCl(C8H12)(C14H10F5P)], reveals that (C2F5)PPh2 (pentafluoroethyldiphenylphosphane or pfepp) disrupts the iridium dimer [(cod)IrCl]2 (cod = cycloocta-1,5-diene) by rupturing the bridging chloride ligands and binding in the open coordination site to form (cod)Ir(pfepp)Cl with the IrI atom in a distorted square-planar coordination environment. The structure deviates very little from the IrI–triphenylphosphine analog, although a significantly (∼20σ) shorter Ir—P bond is noted for the title compound
1,1′-Diketone and 1,1′-dinitrile Derivatives of 2,2′-biimidazole
The crystal structures of 2,2′-biimidazole-1,1′-diacetone, C12H14N4O2, and 2,2′-biimidazole-1,1′-diacetonitrile, C10H8N6, have been determined. Both molecules crystallize with coplanar rings having substituents in a trans disposition with a center of inversion located midway between the bridging C atoms
2,4-Dinitrophenylhydrazones of 2,4-dihydroxybenzaldehyde, 2,4-dihydroxyacetophenone and 2,4-dihydroxybenzophenone
In 2,4-dihydroxybenzaldehyde 2,4-dinitrophenylhydrazone N,N-dimethylformamide solvate (or 4-[(2,4-dinitrophenyl)-hydrazonomethyl]benzene-1,3-diol N,N-dimethylformamide solvat
N,N,N′,N′-Tetramethylethylenediammonium tetrachloridocobaltate(II)
The asymmetric unit of the title compound, [(CH3)2NH(CH2)2NH(CH3)2][CoCl4], contains a tetrachloridocobaltate(II) dianion and two halves of two centrosymmetric, crystallographically-independent, dications. One independent dication is disordered between two conformations in a 0.784 (13):0.216 (13) ratio. In the crystal, intermolecular N—H⋯Cl hydrogen bonds link cations and anions into chains propagated in [01]. These hydrogen bonds contribute to the distorted tetrahedral geometry at the CoII atom
1,1′-diacetyl-2,2′-biimidazole
A crystallographic twofold rotation axis passes through the C-C bond joining the imidazole rings of the title compound, C10H10N4O2. the molecule crystallizes in a cis disposition. the planar acetyl group is twisted by 5.0 (3)° with respect to the imidazole ring and the two imidazole rings are tilted by 60.53 (5)° in relation to one another
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