[Show abstract][Hide abstract] ABSTRACT: In the title compound, C9H8Br2O2, the molecule is essentially planar with an r.m.s. deviation of 0.0652 Å from the mean plane through all non-H atoms and a dihedral angle of 7.1 (2)° between the benzene ring plane and the carboxylate substituent. In the crystal structure, weak C—H...Br hydrogen bonds and weak intermolecular O...Br contacts [3.095 (2) Å], link adjacent molecules into layers parallel to (102). Additional weak intermolecular C—H...O hydrogen bond interactions stack the layers above and below the molecular plane and down the a axis.
[Show abstract][Hide abstract] ABSTRACT: The molecular conformation of the title compound, C16H22N4O2S2, is stabilized by two intramolecular N—H...O hydrogen bonds. The crystal packing shows N—H...O and N—H...S hydrogen bonds.
[Show abstract][Hide abstract] ABSTRACT: The title compound was efficiently synthesized in two steps starting from esterification of 4-aminobenzoic acid followed by amidation with 3-chlorobenzoyl chloride in dry tetrahydrofuran. The structure was confirmed by spectroscopic data and elemental analysis. The molecular structure was determined from single crystal X-ray diffraction data. It crystallizes in the triclinic space group P-1 with Z = 2 and unit cell dimensions a = 5.2941(15) Å, b = 8.157(2) Å, c = 16.238(4) Å, α = 82.682(6)°, β = 84.481(6)°, γ = 80.100(6)° and V = 683.2(3) Å3.
[Show abstract][Hide abstract] ABSTRACT: The molecular conformation of the title compound, C18H18N2O3S, is stabilized by an intramolecular N—H...O hydrogen bond. The crystal packing shows centrosymmetric dimers connected by N—H...S hydrogen bonds. The terminal ethoxy substituents are statistically disordered [occupancy ratio 0.527 (5):0.473 (5)].
[Show abstract][Hide abstract] ABSTRACT: In the title compound, C14H11Cl2NO, the C—N—C(=O)—C amide unit is almost planar (r.m.s. deviation = 0.0317 Å) and subtends dihedral angles of 65.93 (6) and 29.45 (7)°, respectively, to the dichlorobenzene and tolyl rings. The two aromatic rings are inclined at 37.92 (6)° to one another. In the crystal structure, N—H...O hydrogen bonds link the molecules into chains along b. Additional weak C—H...Cl and C—H...O hydrogen bonds combine with C—H...π and very weak π–π contacts [Cg...Cg distance = 4.0217 (12) Å] to stack the molecules down b.
[Show abstract][Hide abstract] ABSTRACT: The title compound, C10H15N2O4+·Cl−, was obtained as an unexpected by-product during the synthesis of 1-[2-(substituted aryl)]-3-methylpyrazol-5-ones. The hydrazide group is essentially planar, with an r.s.m. deviation of 0.020 (2) Å, and is oriented at a dihedral angle of 30.52 (3)° with respect to the benzene ring. In the crystal structure, the cations and anions are linked through N—H...O and N—H...Cl hydrogen bonds, forming a molecular tape running along the b axis.
[Show abstract][Hide abstract] ABSTRACT: The structure of the title compound, C9H10O2, is related to that of 4-methylphenyl 4-methylbenzoate and ethylene di-4-methylbenzoate showing similar bond parameters. The molecule is planar, the dihedral angle between the aromatic ring and the –COOMe group being 0.95 (6)°. The cystal structure exhibits intermolecular C—H...O contacts that link molecules into infinite chains extended in the  direction.