In the title compound, C35H28Br2N2O2, the piperidone ring adopts a chair conformation and the five-membered ring of the pyrrolidine ring adopts an envelope conformation. The naphthalene ring system makes dihedral angles of 37.12 (8) and 50.62 (9)° with the terminal bromo-substituted benzene rings. The dihedral angle between the two bromo-substituted benzene rings is 72.54 (10)°. In the crystal, adjacent molecules are connected by a pair of intermolecular C—H⋯O hydrogen bonds, forming an inversion dimer. An intramolecular O—H⋯N hydrogen bond is also present.
In the title pyrrolidine compound, C30H24Br2N2O3, the two fused pyrrolidine rings adopt envelope and twisted conformations, whereas the piperidine ring adopts an envelope conformation. The essentially planar 2,3-dihydroindanone unit [maximum deviation = −0.0163 (19) Å] is inclined at interplanar angles of 14.29 (9) and 61.07 (9)° to the two benzene rings. In the crystal, adjacent molecules are linked into dimers by intermolecular O—H⋯N and C—H⋯O hydrogen bonds. Short intermolecular Br⋯Br interactions [3.5140 (6) Å] further interconnect these dimers into double dimeric columns along the b axis.
The title compound, [CuI(C19H20Br2N2)], lies across a crystallographic mirror plane. The coordination around the copper centre is distorted trigonal planar, with a bite angle of 94.7 (3)°. A six-membered chelate ring in a chair conformation is formed by the coordination of the imine N atoms of the bidentate ligand to the CuI atom. This conformation is required by the crystallographic mirror symmetry. The interplanar angle between the benzene rings is 74.85 (19)°. The crystal structure exhibits weak intermolecular C—H⋯π interactions, which link the molecules into chains along the b axis.
In the title compound, C18H17NO, the dihydroindene ring system is approximately planar, with a maximum deviation of 0.041 (2) Å. This ring system is almost coplanar with the benzene ring, making a dihedral angle of 5.22 (9)°. In the crystal, intermolecular C—H⋯O hydrogen bonds link the molecules into chains along the b axis.
In the molecule of the title compound, C16H10BrFO, the indane ring system is planar with a maximum deviation of 0.020 (3) Å. An intramolecular C—H⋯O interaction results in the formation of a planar ring, which is oriented at dihedral angles of 2.24 (3) and 2.34 (3)° with respect to the adjacent rings. π–π contacts between the benzene and indane rings [centroid–centroid distances = 3.699 (1) and 3.786 (1)Å] may stabilize the crystal structure.
In the title compound, C16H11ClO, the dihedral angle between the almost planar dihydroindene ring system (r.m.s. deviation = 0.009 Å) and the chlorobenzene ring is 3.51 (14)°. In the crystal, molecules are connected by C—H⋯O and weak C—H⋯Cl interactions, forming infinite layers parallel to (101).
In the title compound, C16H13BrFN3O2S, the dihedral angle between the aromatic rings is 2.55 (19)° and the C=N—N=C torsion angle is 178.9 (3)°. The conformation of the thiazine ring is an envelope, with the S atom displaced by −0.811 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.042 Å). In the crystal, C—H⋯O interactions link the molecules and weak aromatic π–π stacking between the fluorobenzene and bromobenzene rings [centroid–centroid separation = 3.720 (2) Å and interplanar angle = 2.6 (2)°] is also observed.
In the title compound, C33H26Br2N2O2, the piperidine group adopts an envelope conformation while the two pyrrolidine groups adopt half-chair and envelope conformations. The dihydroacenaphthylene group is almost planar, with a maximum deviation of 0.105 (1) Å. The dihedral angle between the two bromophenyl rings is 60.19 (8)°. An intramolecular O—H⋯N interaction is observed, generating an S(5) ring motif. The crystal structure is stabilized by intermolecular C—H⋯O interactions. Short Br⋯Br [3.461 (1) Å] and Br⋯C [3.322 (2) Å] intermolecular contacts are observed, as well as π–π interactions [centroid–centroid distance = 3.793 (1) Å].
In the title compound, C22H17BrN2O4S, the central dihydropyrimidine ring, with a chiral C atom, is significantly puckered and adopts a half-chair conformation with the chiral C atom displaced from the mean plane of the remaining ring atoms by 0.305 (6) Å. The hydroxy-phenyl ring is positioned axially to the pyrimidine ring and almost bisects it, the dihedral angle between the mean-planes of the two rings being 89.78 (12)°. The methoxycarbonyl group is disordered over two sites with an occupancy ratio of 0.568 (5):0.432 (5), resulting in a major and a minor conformer. In the crystal, O—H⋯N and C—H⋯S interactions result in sheets along the c axis. The supramolecular assembly is stabilized by π–π stacking interactions between the 2-bromobenzylidene and thiazolopyrimidine rings [centroid–centroid distance = 3.632 (1) Å]. In addition, C—H⋯π interactions are also observed in the crystal structure.
The molecule of the title compound, C19H20Br2N2, is a potential bidentate Schiff base ligand. The two benzene rings are inclined at a dihedral angle of 30.85 (8)°. An interesting feature of the crystal structure is a weak intermolecular Br⋯Br [3.4752 (4) Å] interaction which is shorter than the sum of the van der Waals radii of the Br atoms and links neighbouring molecules into chains along the c axis. The crystal structure is further stabilized by intermolecular C—H⋯π interactions.
The title compound, C9H9BrN2O2, crystallizes with two independent but essentially identical molecules in the asymmetric unit. Each molecule adopts a trans configuration with respect to the C=N bond. In one of the molecules, the dihedral angle between the benzene ring and the hydrazinecarboxylic acid plane is 24.9 (2)°, and that in the other molecule is 16.1 (2)°. The molecules are linked into a three-dimensional network via intermolecular N—H⋯O, C—H⋯O, C—H⋯N and C—H⋯Br hydrogen bonds. An intramolecular N—H⋯O hydrogen bond is also present.
The title indan-1-one derivative, C16H11BrO, is planar, the r.m.s. deviation for all 18 non-H atoms being 0.071 Å. The configuration about the C=C bond [1.337 (5) Å] is E. In the crystal, supramolecular layers in the ab plane are formed by C—H⋯O interactions, involving the bifurcated carbonyl O atom, as well as C—H⋯π interactions. The studied crystal was an inversion twin.
The title compound, C10H11BrN2O2, crystallizes with two independent molecules in the asymmetric unit, in which the dihedral angles between the benzene ring and the hydrazine carboxylic acid mean plane are 3.0 (4) and 45.3 (3)°. The molecules are linked into a one-dimensional network by intermolecular N—H⋯O hydrogen bonds.
The title compound, C14H10BrFN2O, adopts an E geometry about the C=N bond. The dihedral angle between the mean planes of the two benzene rings is 81.5 (6)°. In the crystal, molecules are linked through intermolecular N—H⋯O hydrogen bonds, forming chains running along the b axis.
In the title compound, C16H13BrN4O4S, the dihedral angle between the aromatic rings is 4.1 (2)° and the C=N—N=C torsion angle is 175.5 (3)°. The nitro group is almost coplanar with the benzene ring to which it is attached [dihedral angle = 2.9 (7)°]. The thiazine ring has an S-envelope conformation with the S atom displaced by 0.819 (3) Å from the mean plane of the other five atoms (r.m.s. deviation = 0.017 Å). In the crystal, C—H⋯O interactions link the molecules and weak aromatic π–π stacking [centroid–centroid separation = 3.874 (2) Å] is also observed.
In the title compound, C14H13BrN2O2S, a novel sulfonamide derivative, intermolecular N—H⋯O and C—H⋯O hydrogen bonds link neighbouring molecules into different dimers along the b axis, generating R
2(8) and R
2(16) ring motifs. The dihedral angle between the benzene rings is 82.39 (13)°. The crystal structure is further stabilized by intermolecular π–π stacking interactions [centroid–centroid distances = 3.867 (2)–3.9548 (8) Å].
The molecule of the title Schiff base compound, C16H14Br2N2, lies across a crystallographic inversion centre. The C=N bond adopts a trans configuration. The imino group is coplanar with the benzene ring. Within the molecule, the planar units are parallel, but extend in opposite directions from the dimethylene bridge. The interesting feature of the structure is the weak Br⋯Br interaction [3.7501 (2) Å] linking the molecules into chains along the c axis. These chains are stacked along the b axis.
In the title compound, C17H11F3O2, the dihydroindene ring is approximately planar with a maximum deviation of 0.024 (2) Å and makes a dihedral angle of 3.17 (8) Å with the adjacent benzene ring. In the crystal, molecules are interconnected by C—H⋯O interactions, forming an infinite chain along the c axis.
In the title compound, C17H16BrN3O2S, the two fused rings are twisted by a dihedral angle of 6.61 (15)°. The thiazine ring adopts a sofa conformation. The toluene ring is oriented at dihedral angles of 15.5 (2) and 20.6 (2)° with respect to the bromobenzene and thiazine rings, respectively. The benzylidene system is approximately planar [r.m.s. deviation = 0.0388 Å]. In the cyrstal, weak intermolecular C—H⋯O hydrogen bonds connects the molecules into a chain along the b axis.
In the title compound, C13H10BrNO, the dihedral angle between the benzene rings is 35.20 (8)°. In the crystal, molecules are linked by O—H⋯N hydrogen bonds, forming a zigzag chain along the a axis. A weak C—H⋯π interaction is observed between the chains.
In the title compound, C27H20BrNO3, two intramolecular C—H⋯O hydrogen bonds both form S(6) rings. The pyrrolidine ring adopts a twisted conformation about the C—C bond bearing the indane ring systems. The other two five-membered rings within the indane systems are in shallow envelope conformations, with the spiro C atoms as the flap atoms. The mean plane of the pyrrolidine ring [maximum deviation = 0.275 (1) Å] makes dihedral angles of 65.25 (7), 78.33 (6) and 75.25 (6)° with the bromo-substituted benzene ring and the mean planes of the mono- and dioxo-substituted indane rings, respectively. In the crystal, molecules are linked by C—H⋯O and C—H⋯N hydrogen bonds into a three-dimensional network. In addition, C—H⋯π interactions are observed.
The title compound, C17H17BrN2O4·CH4O, was synthesized by the condensation of 3,4,5-trimethoxybenzohydrazide and 2-bromobenzaldehyde. The two aromatic rings are approximately planar, the dihedral angle being 3.08 (9)°. The molecules are linked by intermolecular N—H⋯O and O—H⋯O hydrogen bonds into chains along the a axis.
In the title compound, C16H12BrN3O2S, the dihedral angle between the planes of the almost planar (r.m.s. deviation = 0.0263 Å) quinoline group and the bromophenyl group is 87.4 (1)°. The torsion angle of the central S—N—N—C bridge is 144.8 (2)°. The amino group has an intramolecular contact to the quinoline N atom. The structure is stabilized by one N—H⋯O and two C—H⋯O intermolecular hydrogen bonds.
The title compound, C29H29NO3, the nearly planar nine-membered indanedione ring [maximum deviation = 0.027 (2) Å] is located approximately parallel to its carrier pyridine ring [maximum deviation = 0.021 (2) Å] with a dihedral angle of 1.8 (1)° between the planes. However, because of steric hindrance, the benzene ring [maximum deviation = 0.006 (2) Å] is not parallel to the pyridine ring [dihedral angle = 37.29 (8)°]. The molecules display numerous intermolecular π–π interactions between the five- and six-membered rings, the shortest centroid–centroid distance being 3.796 (2) Å. There are inter- and intramolecular O—H⋯O and C—H⋯O hydrogen bonds.
The asymmetric unit of the title compound, C20H23BrN2O, contains two independent molecules (A and B), in which the orientations of the 4-isobutylphenyl units are different. The dihedral angle between the two benzene rings is 88.45 (8)° in molecule A and 89.87 (8)° in molecule B. Molecules A and B are linked by a C—H⋯N hydrogen bond. In the crystal, molecules are linked into chains running along the a axis by intermolcular N—H⋯O and C—H⋯O hydrogen bonds. The crystal structure is further stabilized by C—H⋯π interactions. The presence of pseudosymmetry in the structure suggests the higher symmetry space group Pbca. However, attempts to refine the structure in this space group resulted in a disorder model with high R (0.097) and wR (0.257) values. The crystal studied was an inversion twin with a 0.595 (4):0.405 (4) domain ratio.