The crystal structure of the title compound, C17H15BrO3, a chalcone derivative, exhibits two crystallographically independent molecules per asymmetric unit showing an E conformation about the ethylene double bond. In each molecule, the two phenyl rings are almost coplanar: the mean planes make dihedral angles of 9.3 (2) and 19.4 (2)°. In the crystal, molecules are linked through weak intermolecular C—H⋯O hydrogen bonds.
The asymmetric unit of the title compound, C15H10Br2O3, consists of three crystallographically independent molecules (A, B and C). The phenyl rings in molecules A, B and C make dihedral angles of 6.1 (3), 3.2 (2) and 54.6 (2)° to each other, respectively. In the crystal, molecules are linked into two-dimensional layers parallel to the ab plane by intermolecular C—H⋯O hydrogen bonds. The crystal structure is further stabilized by C—H⋯π interactions. The studied crystal is an inversion twin, the refined ratio of the twin components being 0.128 (8):0.872 (8).
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 .
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.
In the title molecule, C24H15BrCl2N2O, the dihedral angles betwen the pyrazole ring and its N-bonded phenyl (A) and C-bonded bromobenzene (B) rings are 10.34 (16) and 40.95 (15)°, respectively. The dihedral angle between rings A and B is 56.89 (17)°. The title molecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, molecules are linked into inversion dimers by pairs of C—H⋯O hydrogen bonds, generating R
2(14) loops. The crystal structure is further consolidated by C—H⋯π interactions.
The asymmetric unit of the title compound, C13H8Br2OS, contains two molecules, in which the dihedral angles between the thiophene and benzene rings are 10.5 (3) and 33.2 (4)°. There are no significant directional interactions in the crystal.
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 title compound, C22H15BrO3S, crystallizes with four molecules in the asymmetric unit. The 4-bromophenyl rings are rotated out of the benzofuran planes, with dihedral angles for the four molecules of 20.8 (2), 17.8 (2), 23.5 (4) and 23.9 (4)°. The dihedral angles between the 3,4-methylenedioxyphenyl ring and the benzofuran plane are 13.5 (2), 7.1 (2), 18.6 (3) and 14.2 (3)° in the four molecules. The crystal structure is stabilized by weak nonclassical intermolecular C—H⋯O hydrogen bonds. The crystal structure also exhibits intermolecular aromatic π–π interactions between the benzene and furan rings and between the 4-bromophenyl and 3,4-methylenedioxyphenyl rings from molecules of the same type; the centroid–centroid distances are 3.92 (1) and 3.79 (1), 3.91 (1), 3.77 (1) and 3.77 (1), and 3.79 (1) and 3.75 (1)Å in the four molecules.
The title compound, C17H16Br2O3, which is a restricted commercial acaricide (common name bromopropylate), has two independent and conformationally similar molecules in the asymmetric unit [dihedral angles between the planes of the two phenyl rings = 68.7 (4) and 77.4 (5)°]. The C atoms of the isopropyl group of one of the molecules are disordered over two sites with occupancies of 0.638 (16) and 0.362 (16). Minor non-merohedral twinning was also present in the crystal. Intermolecular O—H⋯O hydrogen-bonding interactions involving the hydroxy groups and carboxyl O-atom acceptors give separate centrosymmetric homodimers through cyclic hydrogen-bonding motifs [graph set R
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.
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, 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.
In the title compound, C16H13BrO2, two benzene rings form a dihedral angle of 44.3 (9)°. In the crystal, weak intermolecular C—H⋯O hydrogen bonds link the molecules into chains propagating in . The crystal packing also exhibits short Br⋯Br contacts of 3.4787 (8) Å. A comparison of the DFT-optimized gas-phase molecular geometry with that in the crystal structure revealed only small differences.
In the title molecule, C23H15BrO, the prop-2-en-1-one unit is planar and it makes dihedral angles of 20.9 (1) and 45.8 (1)°, respectively, with the 4-bromophenyl ring and the anthracene ring system. The interplanar angle between the 4-bromophenyl ring and the anthracene ring system is 35.52 (7)°. In the crystal structure, molecules are linked into dimers by C—H⋯Br hydrogen bonds, and the dimers are linked into a zigzag network parallel to the bc plane by weak C—H⋯O hydrogen bonds and C—H⋯π interactions involving the central benzene ring of the anthracene ring system.
In the title molecule, C26H16BrN3O3, the anthracene and benzene mean planes make dihedral angles of 63.79 (2) and 14.67 (2)°, respectively, with the plane of the imidazole ring. In the crystal structure, weak intermolecular C—H⋯O hydrogen bonds link molecules to form centrosymmetric dimers. Weak π–π stacking interactions, with centroid–centroid distances of 3.779 (2) and 3.826 (2) Å, supply additional stabilization. The crystal packing also exhibits short intermolecular contacts between the nitro groups and Br atoms [Br⋯O = 3.114 (2) Å].
The title compound, C14H11BrN4O4, contains 3-bromophenyl and 2,4-dinitrophenyl groups on opposite sides of a hydrazone unit and crystallizes with two molecules in the asymmetric unit. The dihedral angles between the two ring systems in each molecule are 2.0 (1) and 2.5 (4)°. Weak C—H⋯O hydrogen bonds and weak π–π stacking interactions [centroid–centroid distance = 3.7269 (14) Å] help to establish the packing. Intramolecular N—H⋯O hydrogen bonds are also observed. On one of the rings, the Br atom is disordered over two equivalent positions of the phenyl ring [occupancy ratio 0.8734 (10):0.1266 (10).
In the title molecule, C26H23Br3N2O, the piperazine ring adopts a chair conformation and the C=C double bond has an E configuration. In the crystal, molecules are linked through weak intermolecular C—H⋯O hydrogen bonds.
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.
The molecule of the title chalcone derivative, C18H17BrO4, is twisted, the dihedral angle between the 4-bromophenyl and 2,4,6-trimethoxyphenyl rings being 39.17 (6)°. The three methoxy groups are oriented in two different conformations whereby two methoxy groups are coplanar, whereas the third is twisted with respect to the attached benzene ring [C—O—C—C torsion angles of −2.84 (18), −2.80 (18) and −9.31 (18)°]. Weak intramolecular C—H⋯O interactions generate two S(5) and one S(6) ring motifs. In the crystal structure, molecules are linked into supramolecular sheets parallel to the bc plane by weak C—H⋯O interactions. These sheets are stacked along the a axis. The crystal structure is further stabilized by weak C—H⋯π interactions.
In the asymmetric unit of the title compound, C16H12BrN7S, there are two crystallographically independent molecules with similar conformations. Both molecules are slightly twisted; the central 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine ring system makes dihedral angles of 9.65 (15) and 13.29 (15)° with the pyridine and benzene rings, respectively, in one molecule, whereas the corresponding values in the other molecule are 9.30 (15) and 4.84 (15)°. A weak intramolecular C—H⋯N interaction with an S(6) ring motif is observed in each molecule. In the crystal, the independent molecules are each linked through N—H⋯N hydrogen bonds and weak C—H⋯N interactions into ribbons along the c axis. The ribbons are further linked together by weak C—H⋯N, C—H⋯π and π–π [centroid–centroid distances = 3.572 (2)–3.884 (2) Å] interactions.
In the title compound, C20H12BrFO2S, the O atom and the phenyl group of the phenylsulfinyl substituent lie on opposite sides of the plane through the benzofuran fragment; the phenyl ring is nearly perpendicular to this plane [dihedral angle = 86.98 (6)°]. The 4-bromophenyl ring is rotated slightly out of the benzofuran plane, making a dihedral angle of 1.56 (8)°. The crystal structure features aromatic π–π interactions between the furan and phenyl rings of neighbouring molecules [centroid–centroid distance = 3.506 (3) Å], and an intermolecular C—H⋯π interaction. The crystal structure also exhibits a short intermolecular S⋯S contact [3.2635 (8) Å].
The title compound, C15H10BrFO, is isostructural with (2E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)prop-2-en-1-one [Qiu et al. (2006 ▶). Acta Cryst. E62, o3525–o3526], but the structures of other dihalogen analogues, without fluorine, are different, although they are also isostructural within the series. The molecule is approximately flat, the dihedral angle between the ring planes being 8.49 (13)°. In the crystal structure, intermolecular C—H⋯O, C—H⋯F and C—H⋯Br hydrogen bonds link molecules into V-shaped ribbons running parallel to  and stacked with an interplanar distance of approximately 3.53 Å (centroid–vcentroid distance = 3.857 Å)..
There are two independent molecules in the asymmetric unit of the title compound, C15H12BrNO2. In both molecules, the two benzene rings adopt a cis configuration with respect to the epoxy ring. In one molecule, the epoxy ring makes dihedral angles of 60.5 (2) and 77.92 (19)° with the two benzene rings; in the other molecule, the values are 61.0 (2) and 81.43 (19)°. Intermolecular N—H⋯O and C—H⋯O hydrogen bonding is present in the crystal structure.
The structure of the title compound, C15H10BrClO, comprises two substituted benzene rings bridged by a prop-2-en-1-one group and exists in an E configuration about the C=N double bond. The dihedral angle formed between the 4-bromophenyl and 2-chlorophenyl rings is 23.77 (18)°. In the crystal structure, the molecules are linked by weak C—H⋯O interactions, forming a supramolecular zigzag chain. Intramolecular C—H⋯Cl and C—H⋯O hydrogen bonds are also present.