Crystal structure of (Z)-7,8-dichloro-4-(2-oxopropylidene)-4,5-dihydro-1H-1,5-benzodiazepin-2(3H)-one

In the title compound, C12H10Cl2N2O2, the seven-membered heterocycle displays a half-chair conformation. The mean plane through the oxopropylidene group makes a dihedral angle of 36.44 (9)° with the fused benzene ring. An intramolecular N—H...O hydrogen bond to close an S(6) loop is noted. An important feature of the molecular packing are N—H...O hydrogen bonds that lead to the formation of helical supramolecular chains along the b axis

1-Ethyl-4-phenyl-1H-1,5-benzodiazepin-2(3H)-one

The title compound, C17H16N2O, consists of a benzodiazepin-2-one moiety substituted with a phenyl ring and an ethyl group. The seven-membered diazepine ring has a boat conformation and the fused benzene ring is nearly perpendicular to the phenyl ring, as indicated by the dihedral angle of 74.90 (8)°. The atoms of the ethyl group are disordered over two sets of sites, with a refined occupancy ratio of 0.603 (15):0.397 (15). In the crystal, molecules are linked by pairs of C—H...O hydrogen bonds, forming inversion dimers. The dimers are linked via a further C—H...O hydrogen bond, forming layers parallel to (001), which are in turn linked by C—H...π interactions, forming a three-dimensional structure

2-[(Prop-2-yn-1-yl)amino]anilinium chloride

The title compound, C9H11N2+·Cl−, is an anilinium chloride salt, in which the Car—N—C—C (ar = aromatic) torsion angle is −84.95 (18)°. In the crystal, a bilayer of cation–anion sheets runs parallel to (100), primarily through an extensive range of N—H...Cl hydrogen bonds. Weak offset π-stacking interactions between the benzene rings stack molecules along c

2-(2-Oxo-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-1-yl)acetic acid

The asymmetric unit of the title compound, C17H14N2O3, consists of two independent molecules having distinctly different conformations. The components of the asymmetric unit are connected by an O—H...N hydrogen bond, with additional O—H...N hydrogen bonds connecting this assemblage into chains running parallel to the b axis. Intermolecular C—H...π(ring) interactions are also present

(3S)-3,8-Dibromo-4-phenyl-2,3-dihydro-1H-1,5-benzodiazapin-2-one

In the title compound, C15H10Br2N2O, one Br atom is disordered over two non-chemically equivalent sites, and as a consequence, the crystallized sample contains a mixture of isomers, viz. 98.4% of 3,8-dibromo-4-phenyl-2,3-dihydro-1H-1,5-benzodiazapin-2-one and 1.6% of 3,6-dibromo-4-phenyl-2,3-dihydro-1H-1,5-benzodiazapin-2-one. The seven-membered ring adopts a boat conformation. In the crystal, pairwise N—H...O hydrogen bonds form centrosymmetric dimers, which are associated in the crystal through a combination of π–π stacking and C—H...π(ring) interactions

1-Methyl-4-phenyl-1H-pyrazolo[3,4-d]pyrimidine

In the crystal, molecules of the title compound, C12H10N4, stack in a head-to-tail manner along the b direction through π–π stacking interactions between both portions of the pyrazolopyrimidine ring system

1-Benzyl-4-phenyl-1H-1,5-benzodiazepin-2(3H)-one

In the title molecule, C22H18N2O, the seven-membered ring adopts a boat conformation with the planes of the pendant phenyl rings nearly perpendicular to the plane of the aromatic portion of the benzodiazepine core. Pairwise C—H...π(ring) interactions form inversion dimers which pack in zigzag layers associated through weak C—H...O hydrogen bonds

3-Phenylisoxazolin-5-one: a redetermination

The structure of the title molecule, C9H7NO2, has been redetermined to improved precision and the H atoms located [Cannas et al. (1969). Acta Cryst. B25, 1050]. The five-membered ring is almost planar (r.m.s. deviation = 0.006 Å) and subtends a dihedral angle of 2.45 (6)° with the benzene ring. In the crystal, molecules form ribbons running parallel to the a-axis direction through a combination of C—H...N and C—H...O hydrogen bonds. `Stair-step' offset π–π stacking interactions are also observed

3-Chloro-6-nitro-1-[(1-octyl-1H-1,2,3-triazol-4-yl)methyl]-1H-indazole

The asymmetric unit of the title compound, C18H23ClN6O2, consists of two independent molecules differing primarily in the dihedral angles between the mean planes of the indazole and triazole moieties [78.50 (8) in one and 72.39 (7)° in the other]. One of the molecules shows positional disorder of the terminal part of its octyl chain. In the crystal, C—H...X (X = Cl, N, O) hydrogen bonds and C—H...π and π-stacking interactions are observed: together these generate a three-dimensional network