metal-organic compounds
Open access
In the title compound, [Zn2(C8H7N3OS)2(C5H5N)2], the Zn2O2 ring has a flattened roof shape, with the roof angle equal to 10.10 (6)°. The thiosemicarbazones act as tridentate ligands to one ZnII atom, with the O atoms additionally in bridging positions to the second ZnII atom. Both ZnII atoms are five-coordinated; the coordination polyhedra are close to square pyramids, with the pyridine N atoms at apical positions. Two intermolecular N—HN and one relatively weak N—HS hydrogen bond, together with C—HS weak interactions, connect the molecules into a three-dimensional network.
organic compounds
Open access
In the title salt {systematic name: [2-hydroxy-3-(3-methoxyphenyl)cyclohexylmethyl]dimethylazanium 2,4,6-trinitrophenolate}, C16H26NO2+·C6H2N3O7−, the cation is protonated at the N atom. The cyclohexane ring adopts a chair conformation with the hydroxy substituent in an axial position. In the crystal, O—HO and N—HO hydrogen bonds link the cations and anions into supramolecular chains along [100].
organic compounds
Open access
In the title compound, C17H16ClNO2, the N=C—O—C—C fragment is planar within 0.029 (1) Å, and makes dihedral angles of 66.71 (8) and 59.61 (8)° with the planes of the chlorophenyl and benzoyl rings, respectively. The carbonyl C=O bond is not coplanar with either of the aromatic rings; it makes angles of 42.5 and 23.5° with the normals to the ring planes. In the crystal, very weak C—HO, C—HCl, C—Hπ and π–π [interplanar distance = 3.53 (1) Å] interactions are observed.
organic compounds
Open access
In the title compound (systematic name: (R)-dimethyl{2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl}azanium (R,R)-3-carboxy-2,3-dihydroxypropanoate), C17H23N2O+·C4H5O6−, the doxylaminium cation is protonated at the N atom. The tartrate monoanions are linked by short, almost linear O—HO hydrogen bonds into chains extended along [100]. These chains are interlinked by anion–pyridine O—HN hydrogen bonds into a two-dimensional grid structure. WeakC—HO interactions also play a role in the crystal packing. An intramolecular hydroxy–carboxylate O—HO hydrogen bond influences the conformation of the anion: the hydrogen-bonded fragment is almost planar, the maximum deviation from the mean plane being 0.059 (14) Å. In the cation, the aromatic rings are almost perpendicular [dihedral angle = 84.94 (8)°] and the conformation of the O—C—C—N chain is gauche(−), the dihedral angle is −76.6 (2)°. The absolute configuration was assigned on the basis of known chirality of the parent compound.
metal-organic compounds
Open access
The asymmetric unit of the title compound, [Mo(C19H16Cl4N2O2)O2], comprises two independent molecules (A and B). The geometry around the MoVI atom is distorted octahedral in each complex molecule, supported by two oxide O atoms and the N2O2 donor atoms of the coordinating ligand. The dihedral angle between the benzene rings is 74.96 (11) Å for molecule A and 76.05 (11) Å for molecule B. In the crystal, the B molecules are linked by pairs of C—HCl hydrogen bonds, forming inversion dimers. The crystal structure is further stabilized by C—Hπ interactions. An interesting feature of the crystal structure is a ClCl contact [3.3748 (18) Å], which is shorter than the sum of the van der Waals radii of Cl atoms (3.50 Å).
organic compounds
Open access
In the title molecule, C25H23N3O2, two terminal phenyl rings are twisted by 50.20 (6) and 71.26 (5)° from the mean plane (r.m.s. deviation = 0.032 Å) of the central benzylidene–amino–pyrazolone fragment. The N atoms of the pyrazole ring have a pyramidal environment, the sums of the valence angles around them being 353.5 (2) and 347.3 (2)°. The crystal structure is stabilized by C—HO interactions.
organic compounds
Open access
In the asymmetric unit of the title compound, C9H8N2S, there are four symmetry-independent molecules (Z′ = 4). The geometrical features of these molecules are quite similar: in the normal probability plots the R2 correlation factors for bond lengths and angles are generally around 0.95. The twist angles between the imidazole and phenyl rings (which are planar within 3σ) range from 9.0 (6) to 13.1 (5)°. In the crystal, pairs of independent molecules are joined by linear N—HS and weak C—HS hydrogen bonds, forming infinite ribbons, of the type ∼ABABAB∼ and ∼CDCDCD∼, propagating along [110]. Second-order hydrogen-bonded R22(8) rings are formed via interweaving infinite C22(8) chains.
organic compounds
Open access
In the title molecule, C17H18F2N2, the dihedral angle between the benzene rings is 73.40 (3)°. The piperazine ring is close to an ideal chair conformation and the N—H hydrogen is in an equatorial position. In the crystal, molecules are linked via weak C—HF hydrogen bonds.
organic compounds
Open access
The molecule of the title compound, C16H13BrO3, is built of two approximately planar fragments, viz. 3-bromobenzoate [maximum deviation = 0.055 (2) Å and 2-oxo-2-p-tolylethyl [maximum deviation = 0.042 (2) Å], inclined by 46.51 (7)°. In the crystal, weak C—HO hydrogen bonds and BrBr contacts [3.6491 (7) Å] connect the molecules into infinite layers parallel to (-221).