(E,E)-Methyl 2-[(3-nitrobenzylidene)­aminomethyl]-3-phenylpropenoate

The mol­ecule of the title compound, C18H16N2O4, adopts a T-shaped conformation with E stereochemistry for the imine double bond. The (3-nitro­benzyl­idene)amino fragment is almost planar, the mean planes of phenyl ring and nitro group forming a dihedral angle of 8.9 (3)°. In the 3-phenyl­acryloyl unit, the acrylic ester fragment is also almost planar, with the phenyl ring twisted by 41.44 (7)°. In the crystal, the mol­ecules are linked by C—H⋯O hydrogen-bond inter­actions into chains running parallel to [01]

Di-μ-chlorido-bis­[chlorido(1,4,6-trimethyl-6-nitro-1,4-diazepine)copper(II)]

The title neutral copper complex, [Cu2Cl4(C8H17N3O2)2], shows a binuclear center with a Cu—(μ-Cl)2—Cu core, in which each copper ion is coordinated by the N,N,O donor atoms of the tridentate ligand 1,4,6-trimethyl-6-nitro-1,4-diazepine (meaaz-NO2) and three chloride exogenous ligands. Each metal ion is facially coordinated by meaaz-NO2 through N,N,O donor atoms, whereas two bridging and one terminal chloride ions occupy the other face of the highly Jahn–Teller-distorted octa­hedron. Two N atoms from tertiary amine groups of the meaaz-NO2 ligand and two exogenous Cl atoms with short Cu—N and Cu—Cl distances define the equatorial plane. The coordination around each CuII ion is completed by another Cl atom and an O atom from the NO2 group, in the axial positions. The binuclear complex exhibits a centrosymmetric structure with point symmetry

Phytotoxic halimanes isolated from Baccharis salicifolia (Ruiz & Pad.) Pers.

From the EtOH extract of the medicinal native plant, Baccharis salicifolia, two novel halimane-type diterpenoids, salicifolic acid (1) and 5-hydroxy-6-hydro-salicifolic acid (2) together with the known compounds sakuranetin (3), apigenin (4) and scopoletin (5) were bioguided isolated against Panicum miliaceum (monocotyledonous). The structures of 1 and 2 were established by extensive spectroscopic analyses. The effective concentration for 50% inhibition of germination (ECg 50) and the root (ECr 50) and shoot (ECs 50) elongations was determined for 1-5 against P. miliaceum and Raphanus sativus (dicotyledonous). Compound 2 was the most active in the inhibition of germination of P. miliaceum (ECg 50 = 1 mM), followed by 1, 5 and 3, although 1 was the most effective in regulating the growth of P. miliaceum seedlings, with a ECr 50 and ECs 50 values of 1.8 and 6.6 mM, respectively. Compounds 1 and 3 were the only samples capable of inhibiting the germination of R. sativus, while seedling development was affected by 1, 2, and 3 with different effectiveness.Fil: del Corral, Soledad. Universidad Católica de Córdoba. Facultad de Ciencias Químicas; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Cuffini, Silvia Lucia. Universidade Federal de Santa Catarina; Brasil. Provincia de Córdoba. Ministerio de Ciencia y Técnica. Centro de Excelencia en Productos y Procesos de Córdoba; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Cardoso, Simone G.. Universidade Federal de Santa Catarina; BrasilFil: Bortoluzzi, Adailton J.. Universidade Federal de Santa Catarina; BrasilFil: Palacios, Sara Maria. Universidad Católica de Córdoba. Facultad de Ciencias Químicas; Argentina. Universidad Católica de Córdoba. Instituto de Investigaciones en Recursos Naturales y Sustentabilidad José Sanchez Labrador S. J. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Recursos Naturales y Sustentabilidad José Sanchez Labrador S. J.; Argentin

1-(5-Hydroxy-1-phenyl-3-trifluoromethyl-1H-pyrazol-1-yl)ethanone

The crystal structure of the title compound, C12H9F3N2O2, contains two independent mol­ecules in the asymmetric unit. The mol­ecules are chemically identical but exhibit a significant difference in the dihedral angles between the mean planes of the phenyl and pyrazole rings, with values of of 11.62 (13) and 18.17 (11)°. Moreover, the trifluoro­methyl group in one of the mol­ecules shows rotational disorder of the F atoms, with site occupancy factors of 0.929 (6) and 0.071 (6). The hydroxyl group in each of the mol­ecules shows a strong intra­molecular hydrogen bond with the carbonyl O atom, forming a six-membered ring and forcing the formyl group and pyrazole ring to be coplanarshowing C—C—C—O torsion angles of ?0.3(5)o and 0.°. Weak inter­molecular C—H⋯O and C—H⋯F inter­actions contribute to the stabilization of the crystal packing

Nicotinohydrazide

The title mol­ecule (alternative name: pyridine-3-carbohydrazide; C6H7N3O) was obtained from the reaction of ethyl nicotinate with hydrazine hydrate in methanol. In the amide group, the C—N bond is relatively short, suggesting some degree of electronic delocalization in the mol­ecule. The stabilized conformation may be compared with those of isomeric compounds picolinohydrazide (pyridine-2-carbohydrazide) and isonicotinohydrazide (pyridine-4-carbohydrazide). In the title isomer, the pyridine ring forms an angle of 33.79 (9)° with the plane of the non-H atoms of the hydrazide group. This lack of coplanarity between the hydrazide functionality and the pyridine ring is considerably greater than that observed in isonicotinohydrazide (dihedral angle = 17.14°), while picolinohydrazide is almost fully planar. The title isomer forms inter­molecular N—H⋯O and N—H⋯N hydrogen bonds, which stabilize the crystal structure

2-All­yloxy-5-nitro­benzoic acid

The mol­ecule of the title compound, C10H9NO5, is approximately planar, with the mean planes of the nitro, carboxyl and all­yloxy groups rotated by 8.1 (3), 7.9 (3) and 4.52 (18)°, respectively, from the plane of the benzene ring. Bond lengths in the aromatic ring are influenced by both electronic effects and strain induced by ortho-substitution. In the crystal structure, centrosymmetrically related mol­ecules are paired into dimers through strong O—H⋯O hydrogen bonds

(3R,8aS)-3-Ethyl­perhydro­pyrrolo[1,2-a]pyrazine-1,4-dione

In the title compound, C9H14N2O2, the pyrrolidine and piperazine rings adopt envelope and boat conformations, respectively. The chiral centers were assigned on the basis of the known stereogenic center of an enanti­omerically pure starting material and the trans relationship between the H atoms attached to these centers. The crystal packing is stabilized by an inter­molecular hydrogen bond between the N—H group and a carbonyl O atom of the diketopiperazine group, forming zigzag C(5) chains along [010]

5-O-Acetyl-d-ribono-1,4-lactone

The title compound, C7H10O6, was obtained from a regioselective enzyme-catalysed acyl­ation of d-ribono-1,4-lactone. The five-membered ring of the acyl­ated sugar shows an envelope conformation. In the crystal, the mol­ecules are linked by inter­molecular O—H⋯O hydrogen-bonds, forming a one-dimensional polymeric structure parallel to [010]. In addition, packing analysis shows stacking along the b axis