Download citation
Download citation

link to html
In the title compound, C20H16N2OS, the aniline substituent essentially coplanar with the benzothia­zole moiety (with an r.m.s. deviation of all fitted non-H atoms of 0.0612 Å). The phenol group is almost perpendic­ular to the benzothia­zolylaniline group, with an inter­planar angle of 88.36 (2)°. In the crystal, mol­ecules aggregate as centrosymmetric dimers by pairs of O—H...N hydrogen bonds. C—H...O contacts and N—H...π(arene) inter­actions also occur.

Download citation
Download citation

link to html
The title compound, C32H18F4N4S2, is a disulfide symmetric­ally substituted with two diaza-meta-terphenyl groups. In the crystal, the mol­ecule adopts a twisted conformation with a C—S—S—C torsion angle of −91.82 (7)°. One of the 4,6-(4-fluoro­phen­yl)pyrimidine groups is virtually planar, with dihedral angles between the pyrimidine and benzene groups of 4.00 (8) and 5.44 (8)°, wheares the other is non-planar with analogues dihedral angles of 18.69 (8) and 26.60 (8)°. The planar 4,6-(4-fluoro­phen­yl)pyrimidine groups are involved in π–π stacking inter­actions via their 4-fluoro­phenyl groups [centroid–centroid distances of 3.8556 (11) and 3.9284 (11) Å] that assemble the mol­ecules into columns extended along the a axis. In addition, the structure is stabilized by C—F...π [F...centroid = 3.4017 (16) Å], C—H...F and C—H...π inter­actions.

Download citation
Download citation

link to html
In the title compound, C15H8Cl2F2O, the C=C double bond is in the E configuration. In the cyrstal, C—H...O hydrogen bonds connect the mol­ecules into chains along the c axis. A π–π inter­action of 3.628 (1) Å is also observed between two polyhalogenated benzene rings. The dichloro­substituted ring exhibits partial disorder over two sets of sites, with site-occupancy factors of 0.573 (3) and 0.427 (3).

Download citation
Download citation

link to html
In the title compound, C16H13FO4, the aromatic rings enclose an angle of 73.68 (6)°. In the crystal, C—H...O and C—H...F contacts connect the mol­ecules into a three-dimensional network. The shortest inter­centroid distance between two aromatic π-systems is 3.6679 (7) Å and is apparent between the fluorinated phenyl groups.

Download citation
Download citation

link to html
The title compound, C15H16F3NO4, is an N-substituted derivative of ortho-trifluoro­methyl­aniline featuring a twofold Michael system. The least-squares planes defined by the atoms of the phenyl ring and the atoms of the Michael system enclose an angle of 15.52 (5)°. Apart from classical intra­molecular N—H...O and N—H...F hydrogen bonds, inter­molecular C—H...O contacts are observed, the latter connecting the mol­ecules into chains along [110]. The shortest inter­centroid distance between two aromatic systems is 3.6875 (9) Å.

Download citation
Download citation

link to html
In the title molecular salt, C15H14ClN2OS+·C6H2N3O7, protonation occurred on the double-bonded N atom. One of the nitro groups shows slight disorder over two orientations, with an occupancy ratio of 0.91:0.09. In the crystal, classical N—H...O hydrogen bonds, as well as C—H...O contacts connect the components into a three-dimensional network. The seven-membered ring adopts a boat-like conformation. The least-squares plane defined by its non-H atoms encloses an angle of 38.99 (6)° with the benzene ring bonded to it.

Download citation
Download citation

link to html
In the title methyl­benzoate compound, C16H16O3, the mol­ecule is essentially planar (r.m.s. of all fitted non-H atoms = 0.0370 Å); the dihedral angle between the phenyl rings is 2.30 (7)°. Apart from a C—H...π inter­action, no marked inter­molecular contacts are obvious.

Download citation
Download citation

link to html
In the title compound, C15H9Cl2FO, the F atom shows positional disorder over two positions, with site-occupancy factors of 0.747 (4) and 0.253 (4). The dihedral angle between the rings is 86.37 (10)°. In the crystal, C—H...O contacts connect the mol­ecules into chains along the c axis. The shortest inter-centroid distance between two aromatic systems is 3.6686 (12) Å and is apparent between the halogenated rings.

Download citation
Download citation

link to html
The title compound [systematic name: 4-diphenyl­methyl-1-(3-phenylprop-2-en-1-yl)-piperazin-1-ium 2-carb­oxy-4,6-dinitro­pheno­late], C26H29N2+·C7H3N2O7, is the dinitro­salicylate salt of a tertiary amine. Deprotonation of the carb­oxy­lic acid group occurred on the phenolic hy­droxy group. The diaza­cyclo­hexane ring adopts a chair conformation. Intra­molecular O—H...O and inter­molecular C—H...O and N—H...O hydrogen bonds are observed. The N—H...O hydrogen bonds are bifurcated at the H atom and connect the cinnarizinium and 3,5-dinitro­salicylate ions together. Inter­molecular C—H...O hydrogen bonds connect the components into layers perpendicular to the crystallographic a axis.

Download citation
Download citation

link to html
In the title mol­ecule, C16H8Cl2FNO, the benzene rings form a dihedral angle of 78.69 (8)°. The F atom is disordered over two positions in a 0.530 (3):0.470 (3) ratio. The crystal packing exhibits π–π inter­actions between dichloro-substituted rings [centroid–centroid distance = 3.6671 (10) Å] and weak inter­molecular C—H...F contacts.

Download citation
Download citation

link to html
The title compound, C28H19ClF2O2, is a polysubstituted terphenyl derivative bearing a Michael system in which the C=C double bond has an E conformation. In the crystal, C—H...Cl and C—H...O contacts connect the mol­ecules into layers lying perpendicular to the a axis. The shortest inter­centroid distance between symmetry-related 4-fluoro­phenyl groups is 3.7547 (16) Å.

Download citation
Download citation

link to html
The title compound, C21H21ClP+Br, is the bromide salt of a mixed aryl-alkyl phospho­nium cation. C–P–C angles span a range of 107.20 (10)–111.18 (10)°. The non-H atoms of the 3-chloro­propyl group adopt a staggered conformation [C–C–C–Cl torsion angle: −72.0 (3)°]. In the crystal, C—H...Br contacts connect the entities of the title compound into a double zigzag chain along b. These chains are linked into a supra­molecular layer lying parallel to (10-1) by C—H...π inter­actions.

Download citation
Download citation

link to html
In the crystal structur of the achiral title compound, C9H8N2, N—H...N hydrogen bonds connect the mol­ecules into zigzag chains in [100]. Weak inter­molecular N–H...π inter­actions further consolidate the crystal packing.

Download citation
Download citation

link to html
In the title compound, C20H21N3O2·H2O, the aza-substitued six-membered ring adopts a L4B conformation. In the crystal, classical N—H...O, N—H...N and O—H...O hydrogen bonds connect the entities into a three-dimensional network. Intra­molecular C—H...O contacts are also observed.

Download citation
Download citation

link to html
In the title compound, C15H12ClNO, the isoxazoline ring adopts an envelope conformation with the C atom bearing an unsubstituted phenyl ring as the flap atom. The chlorinated phenyl group is nearly in-plane with the four coplanar atoms of the heterocycle and the corresponding mean planes enclosing an angle of 1.16 (7)°. The unsubstituted phenyl group attached to the envelope flap atom approaches a nearly perpendicular orientation relative to the isoxazoline ring with a dihedral angle of 74.93 (7)°. In the crystal, weak C—H...O, C—H...N and C—H...π inter­actions connect the mol­ecules into layers perpendicular to the a axis.

Download citation
Download citation

link to html
In the title compound, C21H15F2N3O2, a pyrazole derivative bearing three aromatic substituents, the central five-membered heterocyclic ring makes dihedral angles of 1.77 (14), 3.68 (13) and 72.15 (14)° with the three benzene rings. In the crystal, C—H...O and C—H...F inter­actions connect the mol­ecules into double layers parallel to the bc plane.

Download citation
Download citation

link to html
The title compound, C20H22N2O3, is a secondary amine featuring an amide and an ester functionality in connection with a Michael system. The conformation about the C=C bond is E. Intra­molecular N—H...O hydrogen bonds occur. In the crystal, C—H...O contacts connect the mol­ecules into chains along the b-axis direction.

Download citation
Download citation

link to html
In the title compound, C23H27N3O4, the dihydro­pyridine ring adopts a 1,4B conformation. Intra­molecular C—H...O contacts occur. In the crystal, N—H...O and N—H...N hydrogen bonds and C—H...N contacts connect the mol­ecules into strands along the a-axis direction.

Download citation
Download citation

link to html
In the title pyrimidine derivative, C12H16N2OS, the tetra­hydro­pyrimidine ring adopts an envelope conformation with the C atom of the methyl­ene –CH2– group as the flap. In the crystal, N—H...O and N—H...S hydrogen bonds connect mol­ecules into undulating sheets perpendicular to the a axis.

Download citation
Download citation

link to html
The asymmetric unit of the title compound, C30H22N2O6, comprises a half-mol­ecule of the cyclo­butane derivative. The least-squares planes defined by the respective C atoms of the aromatic substituents inter­sect at angles of 76.81 (7) and 89.22 (8)° with the least-squares plane defined by the C atoms of the cyclo­butane ring. In the crystal, C—H...O contacts connect the mol­ecules into a three-dimensional network. The shortest centroid–centroid distance between the two different aromatic rings is 3.9601 (8) Å.

Download citation
Download citation

link to html
In the title compound, C21H23N3O4S·H2O, the methyl­sulfanyl group is disordered over two sets of sites with site-occupancy factors of 0.631 (11) and 0.369 (11). The dihydro­pyridine ring adopts an E4 conformation. In the crystal, classical O—H...N, O—H...O and N—H...O hydrogen bonds, as well as C—H...O and C—H...S contacts, connect the mol­ecules into a three-dimensional network.

Download citation
Download citation

link to html
The asymmetric unit of the title compound, C13H10F3NO3, contains two independent mol­ecules with similar conformations. In the crystal, N—H...O hydrogen bonds link alternating independent mol­ecules into chains in [-110]. In the chain, the quinoline planes of the independent mol­ecules are almost perpendicular to each other, forming a dihedral angle of 89.8 (1)°. π–π inter­actions between the aromatic rings of quinoline bicycles related by inversion centres [for two independent centrosymmetric dimers, the shortest centroid–centroid distances are 3.495 (1) and 3.603 (1) Å] link the hydrogen-bonded chains into layers parallel to (110). Weak C—H...F and C—H...O inter­actions further consolidate the crystal packing.

Download citation
Download citation

link to html
The title compound, C24H18BrF3N4O4, is a 1,2,3-triazole derivative featuring, among others, a quinoline-derived substituent. In the crystal, C—H...O, C—H...N and C—H...F contacts connect the mol­ecules into a three-dimensional network. The shortest centroid–centroid distance between two aromatic systems is 3.896 (2) Å and is found between the two different six-membered rings of the quinoline scaffold in neighbouring mol­ecules.

Download citation
Download citation

link to html
In the title compound, C19H16F3NO6, a quinoline derivative featuring an annealated furan substituent, the mean planes of the carb­oxy substituents are at an angle of 74.3 (2)°. In the crystal, C—H...O contacts result in undulating chains along [110]. C—H...F contacts also occur. The shortest centroid–centroid distance between rings is 3.3376 (7) Å, involving two furan rings of neighbouring mol­ecules.

Download citation
Download citation

link to html
In the title compound, C28H19BrF2O2, the C=C double bond is E-configured. In the crystal, C—H...O and C—H...F contacts connect mol­ecules into planes perpendicular to the c axis. The shortest centroid–centroid distance between two aromatic systems is 3.6745 (12) Å between one of the para-fluoro­phenyl rings and its symmetry-generated equivalent.

Download citation
Download citation

link to html
In the title compound, C14H19N3O2, the heterocycle adopts a 1C4 conformation with the N atom being one of the flap atoms. In the crystal, classical N—H...O hydrogen bonds and C—H...O contacts connect the mol­ecules into a three-dimensional network.

Download citation
Download citation

link to html
In the title compound, C14H10BrClO2, a twofold halogenated derivative of phenyl­ated phenyl­oxyethanone, the least-squares planes defined by the C atoms of the aromatic rings subtend an angle of 71.31 (17)°. In the crystal, C—H...O contacts connect the mol­ecules into chains along the b-axis direction.
Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds