In the title 1:1 co-crystal, C10H7BrN4S·C7H5BrO2, the triazolothiadiazole system is approximately planar [with a maximum deviation of 0.030 (4) Å] and forms a dihedral angle of 8.6 (1)° with the bromophenyl ring. In the carboxylic acid molecule, the carboxyl group is rotated by 6.4 (3)° out of the benzene ring plane. The crystal structure features O—H⋯N and C—H⋯O hydrogen bonds, π–π stacking interactions [centroid–centroid distances = 3.713 (2), 3.670 (2) and 3.859 (3) Å] and short S⋯N [2.883 (4) Å] contacts.
The title compound, C17H15BrO2, consists of two substituted benzene rings connected by a prop-2-en-1-one group. The molecule is nearly planar and adopts an E configuration. The dihedral angle between the two benzene rings is 8.51 (19)°. The enone plane makes dihedral angles of 11.06 (19) and 7.69 (19)°, respectively, with the bromophenyl and ethoxyphenyl rings. The molecules are linked by C—H⋯O hydrogen bonds to form a zigzag ribbon-like structure along the b direction. The crystal structure is stabilized by weak intra- and intermolecular C—H⋯O interactions.
In the title compound, C17H11Br3N2O3, the whole molecule is disordered over two positions with a refined occupancy ratio of 0.770 (5):0.230 (5). In the major component, the 1,2,3-oxadiazolidine ring is essentially planar [maximum deviation = 0.017 (6) Å] and makes dihedral angles of 22.5 (3) and 70.2 (3)° with the 4-bromophenyl and phenyl rings, respectively. In the minor component, the corresponding values are 18.9 (11) and 84.9 (12)°. In the crystal, intermolecular C—H⋯Br hydrogen bonds link the molecules into ribbons along . There is a short O⋯N contact [2.83 (3) Å] in the minor component. In the major component, the molecular structure is stabilized by an intramolecular C—H⋯O hydrogen bond, which forms an S(6) ring motif.
In the title compound, C25H21BrN2O3·H2O, the benzimidazole fragment and the water molecule of crystallization are each disordered over two sets of sites of equal occupancy. The dihedral angles between the least-squares planes of the benzimidazole and the 3-ethoxy- and 4-bromobenzene rings are 86.9 (6) and 85.1 (1)°, respectively in one disorder component. The crystal packing is stabilized by intermolecular O—H⋯O, O—H⋯N and N—H⋯N hydrogen bonds, which link the molecules into chains along the a axis.
The molecule of the title nicotinonitrile derivative, C22H19BrN2O2, is non-planar, the central pyridine ring making dihedral angles of 7.34 (14) and 43.56 (15)° with the 4-bromophenyl and 4-ethoxyphenyl rings, respectively. The ethoxy group of the 4-ethoxyphenyl is slightly twisted from the attached benzene ring [C—O—C—C = 174.2 (3)°], whereas the ethoxy group attached to the pyridine ring is in a (+)syn-clinal conformation [C—O—C—C = 83.0 (3)°]. A weak intramolecular C—H⋯N interaction generates an S(5) ring motif. In the crystal structure, the molecules are linked by weak intermolecular C—H⋯N interactions into screw chains along the b axis. These chains stacked along the a axis. π–π interactions with centroid–centroid distances of 3.8724 (16) and 3.8727 (16) Å are also observed.
In the title compound, C24H20BrN3S, the dihydrothiazole ring is approximately planar, with a maximum deviation of 0.008 (2) Å, and is twisted with respect to the 4-bromophenyl ring, the phenyl ring and methylphenyl ring, making dihedral angles of 47.96 (8), 59.52 (9) and 16.96 (9)°, respectively. In the crystal, weak C—H⋯π interactions link inversion-related molecules into supramolecular dimers.
The title compound, C15H9BrN2S, was prepared by the reaction of 1-bromo-2-(2,2-dibromovinyl)benzene with 1H-benzo[d]imidazole-2(3H)-thione. The thiazolo[3,2-a]benzimidazole fused-ring system is nearly planar, the maximum atomic deviation being 0.049 (4) Å. This mean plane is oriented at a dihedral angle of 71.55 (17)° with respect ot the bromophenyl ring. π–π stacking is observed in the crystal structure, the centroid–centroid distance between the thiazole and imidazole rings of adjacent molecules being 3.582 (2) Å.
The asymmetric unit of the title compound, C15H10BrNO4S, contains two different conformers in which the benzisothiazole rings are essentially planar, with r.m.s. deviations of 0.012 and 0.017 Å. The mean planes of the benzene rings form dihedral angles 70.49 (13) and 72.79 (11)° with the benzisothiazole rings. The orientation of the Br atoms in the two conformers exhibit the most pronounced difference, with opposing orientations in the two molecules. The crystal structure is stabilized by π–π interactions between the benzene rings of the benzisothiazole moieties of one molecule and bromobenzene rings of the other molecule, with distances between the ring centroids of 3.599 (3) and 3.620 (3) Å, respectively. The crystal packing is further consolidated by pairs of weak intermolecular C—H⋯O hydrogen bonds, which form inversion dimers.
The title compound, C15H10Br2O, is a chalcone with 2-bromophenyl and 4-bromophenyl rings bonded to opposite sides of a propenone group. The dihedral angle between mean planes of the benzene rings is 71.3 (1)°. The angle between the mean plane of the prop-2-ene-1-one group and the mean planes of the 2-bromophenyl and 4-bromophenyl rings are 64.2 (9) and 71.3 (1)°, respectively. A weak intermolecular C—H⋯O interaction and two weak C—Br⋯π interactions are observed, which contribute to the stability of the crystal packing.
The asymmetric unit of the title compound, C11H11BrN2O4, contains two crystallographically independent molecules in which the bromophenyl rings are oriented at dihedral angles of 39.28 (3)°. The dioxolane rings adopt envelope conformations. Intramolecular N—H⋯O hydrogen bonds result in the formation of four five-membered rings, having planar and envelope conformations. In the crystal structure, intermolecular N—H⋯O hydrogen bonds link molecules into chains along the b axis, forming R
2(8) ring motifs.
The molecule of the title pyrazole derivative, C18H19BrN4S, is twisted. The central pyrazole ring, which adopts a flattened envelope conformation, is almost coplanar with the 4-bromophenyl ring, whereas it is inclined to the 4-(dimethylamino)phenyl ring making dihedral angles of 1.68 (6) and 85.12 (6)°, respectively. The dihedral angle between the two benzene rings is 86.56 (6)°. The dimethylamino group is slightly twisted from the attached benzene ring [C—C—N—C torsion angles = 8.4 (2) and 8.9 (2)°]. In the crystal, molecules are linked by intermolecular N—H⋯S hydrogen bonds into chains along . The crystal is further stabilized by C—H⋯π interactions.
In the title compound, C14H9BrN2O, the quinazoline unit is essentially planar, with a mean deviation of 0.058 (2) Å from the least-squares plane defined by the ten constituent ring atoms. The dihedral angle between the mean plane of the quinazoline ring system and the 4-bromophenyl ring is 47.6 (1)°. In the crystal, molecules are linked by intermolecular C—H⋯N and C—H⋯O hydrogen bonds, forming infinite chains of alternating R
2(6) dimers and R
2(14) ring motifs.
In the title compound, C20H18BrN5, the bromophenyl-substituted quinazoline unit is essentially planar [maximum deviation = 0.098 (3) Å] and makes a dihedral angle of 56.04 (14)° with the imidazole ring. In the crystal, molecules are associated by pairs of N—H⋯N hydrogen bonds to form inversion dimers. All the quinazoline planar systems are oriented almost perpendicular to the  direction, making π–π interactions possible between adjacent dimers [centroid–centroid distances = 3.7674 (16) and 3.7612 (17) Å]. There are also a number of C—H⋯π interactions present. The crystal is a nonmerohedral twin, with a minor twin fraction of 0.47.
The asymmetric unit of the title compound, C26H28BrN, contains two independent molecules in which the carbazole rings are almost planar, with r.m.s. deviations of 0.0212 (1) and 0.0229 (1) Å. The dihedral angles between the carbazole ring system and the pendent benzene ring are 60.5 (1) and 56.3 (1)° in the two molecules. In the crystal, molecules are linked into chains along the b axis by C—H⋯π interactions.
In the title compound, C9H10BrN3O, the hydrazone portion and aliphatic chain are essentially coplanar [maximum deviation 0.057 (15) Å] and the mean plane makes a dihedral angle of 70.9 (6)° with the benzene ring. The main feature of the crystal structure is the intermolecular N—H⋯O hydrogen bond, which links molecules into zigzag chains along the a axis. These chains are further stacked along the b axis. The crystal structure features non-classical intermolecular C—H⋯O interactions. The crystal studied was a nonmerohedral twin, with a twin ratio of 0.505 (1):0.495 (1).
In the title compound, C18H11BrN6, the phenyl ring is almost coplanar [dihedral angle 7.2 (1)°] with the planar (r.m.s. deviation 0.039 Å) tricyclic ring system while the 4-bromophenyl ring makes a dihedral angle of 33.98 (6)° with the ring system. Weak intermolecular C—H⋯N and C—H⋯Br hydrogen-bonding interactions and π–π stacking [centroid–centroid distances = 3.7971 (17) and 3.5599 (16) Å] stabilize the crystal packing. A comparison of the structure to a MOPAC PM3 geometry optimization calculation in vacuo supports these observations.
In the title compound, C11H10BrN5OS, the approximately planar pyrazole ring [maximum deviation = 0.014 (2) Å] forms a dihedral angle of 5.49 (13)° with the benzene ring. An intramolecular N—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, molecules are linked through intermolecular N—H⋯S and N—H⋯O hydrogen bonds, forming a two-dimensional network parallel to (100). A short Br⋯Br contact of 3.5114 (6) Å is also observed.
In the title compound, C17H11BrFN3S, the imidazothiadiazole and bromophenyl rings are individually almost planar, with maximum deviations of 0.0215 (4) and 0.0044 (4) Å, respectively, and are inclined at an angle of 27.34 (3)° with respect to each other. The dihedral angle between the mean planes of the fluorobenzyl and imidazothiadiazole rings is 79.54 (3)°. The crystal structure is stabilized by intermolecular C—H⋯N interactions resulting in chains of molecules along the b axis.
There are two crystallographically independent molecules in the asymmetric unit of the title compound, C18H12Br2N2O. In each molecule, one of the bromophenyl rings lies almost in the plane of pyrazole unit [dihedral angles of 5.8 (3)° in the first molecule and and 5.1 (3)° in the second] while the other ring is approximately perpendicular to it [dihedral angles of 80.3 (3) and 76.5 (3)°]. The crystal packing shows intermolecular C—H⋯O interactions. The crystal studied was a racemic twin.
In the molecule of the title compound, C21H20BrN3O3, the pyrimidine ring is oriented at dihedral angles of 80.87 (3) and 15.99 (3)°, respectively, to the pyrimidine and bromophenyl rings. The dihedral angle between the two benzene rings is 88.37 (3)°. In the crystal structure, intermolecular N—H⋯O and O—H⋯N hydrogen bonds link the molecules. A π–π contact between pyrimidine and phenyl rings [centroid–centroid distance = 3.776 (3) Å] may further stabilize the structure. The methine H and the methyl C and H atoms are disordered over two positions and were refined with occupancies of 0.522 (13) and 0.478 (13).
In the structure of the title compound, C20H15BrN4O·C2H6O, the hydrogenated pyridinone ring adopts an envelope conformation. The dihedral angle between the bromo-substituted phenyl ring and the pyrazole ring is 79.6 (1)°, and that between the non-substituted phenyl ring and the pyrazole ring is 51.2 (1)°. In the crystal structure, molecules are linked via intermolecular N—H⋯O and O—H⋯N hydrogen bonds. A short intermolecular N⋯Br contact [3.213 (4) Å] is present in the crystal structure.
In the title molecule, C35H22BrNO2, the four-membered ring of the β-lactam unit is nearly planar [maximum deviation = 0.003 (3) Å] and makes dihedral angles of 87.07 (15), 59.80 (16) and 20.81 (19)°, respectively, with the xanthene system, the anthracene system and the bromo-substituted benzene ring. The molecular conformation is stabilized by weak intramolecular C—H⋯O and C—H⋯N hydrogen bonds. The crystal structure features weak C—H⋯π interactions.
The title compound, C23H23BrO4, is an intermediate in the synthesis of fused heterocycles. In the title molecule, the cyclohexene ring has a distorted half-chair conformation. The bromophenyl ring and the mean plane of the cyclohexene ring form a dihedral angle of 13.8 (3)°, whereas the benzene and cyclohexene rings are approximately perpendicular [88.44 (17)°]. There are only weak C—H⋯O and C—H⋯π intermolecular interactions.
In the title compound, C21H16BrFN2, the fluoro-substituted benzene ring is disordered over two orientations about the C—F bond and the C—C bond between the benzene and pyrazole groups with a site-occupancy ratio of 0.516 (8):0.484 (8). The central pyrazole ring [maximum deviation = 0.035 (3) Å] makes dihedral angles of 22.4 (2), 11.0 (2), 77.19 (16) and 7.44 (17)° with the two disorder components of the benzene ring, the bromo-substituted benzene ring and the phenyl ring, respectively. In the crystal, molecules are linked into a layer parallel to the bc plane through C—H⋯π interactions.
In the title compound, C11H13BrN2OS, there are two independent molecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the benzene ring and the carbamothioyl group is 63.66 (molecule A) and 80.3 (0)° (molecule B). The butanamide group in molecule A is disordered [0.532 (6) and 0.468 (6) occupancy]. The carbamothioyl group is twisted by 63.6 (6) (molecule A) and 80.3 (0)° (molecule B) from the respective benzene ring. A strong intramolecular N—H⋯O hydrogen bond occurs in each molecule. The crystal packing is stabilized by weak intermolecular N—H⋯O and N—H⋯S hydrogen-bond interactions, the latter forming an infinite co-operative hydrogen-bonded two-dimensional network along .