organic compounds
Open access
In the title compound, C20H19FN2O2, the dihedral angle between the aromatic rings is 62.1 (1)°, and those between the pyrazole ring and the fluorobenzene and benzoic acid rings are 52.1 (1) and 53.1 (1)°, respectively. In the crystal, molecules are linked into [010] C(7) chains by O—HN hydrogen bonds.
organic compounds
Open access
In the title compound, C18H18F2N2O3S, the piperazine ring adopts a chair conformation. The dihedral angle between the sulfonyl-bound benzene ring and the best fit plane throught the six non-H atoms of the piperazine ring is 69.4 (2)°, while those between the fluorobenzene and sulfonyl rings and the fluorobenzene and piperazine rings are 30.97 (2) and 75.98 (2)°, respectively. In the crystal, molecules are connected to form a tetrameric unit through C—HO hydrogen bonds. The structure is further stabilized by weak intermolecular C—HF interactions, generating C(8) and C(7) chains running along [100].
organic compounds
Open access
The title compound, C10H16N4, crystalizes with two molecules (A and B) in the asymmetric unit in which the dihedral angles between the piperidine and pyrimidine rings are 47.5 (1) and 10.3 (1)°. The four C atoms of the pyrimidine ring in one of the molecules are disordered over two sets of sites with occupancy factors 0.508 (11):0.492 (11). In the crystal, the A molecules are linked to one another through N—HN hydrogen bonds, generating R22(8) ring patterns and forming inversion dimers. These dimers are further connected on either side to a B molecule through pairs of N—HN hydrogen bonds, resulting in a tetrameric unit.
organic compounds
Open access
In the title compound, C15H11BrO3, the dihedral angle between the naphthofuran ring system (r.m.s. deviation = 0.022 Å) and the side chain is 4.50 (2)°. In the crystal, short BrBr [3.4435 (7) Å] contacts propagating along [010] in a zigzag manner and weak π–π interactions [shortest centroid–centroid separation = 3.573 (2) Å] directedalong [100] are observed.
organic compounds
Open access
In the crystal structure of the title compound, C19H21F3N2O2S, the piperazine ring adopts a chair conformation. The dihedral angles between the mean plane of the piperazine ring and the tosyl and trifluoromethylphenyl rings are 74.52 (3) and 68.30 (2)°, respectively. The sulfonamide N atom deviates from the plane defined by the three attached atoms by 0.327 (1) Å. The crystal structure is stabilized by weak C—Hπ interactions.
organic compounds
Open access
In the title compound, C7H6FNO2, the molecule is almost planar (r.m.s. deviation for the non-H atoms = 0.015 Å) and an intramolecular N—HO hydrogen bond closes an S(6) ring. In the crystal, inversion dimers linked by pairs of O—HO hydrogen bonds generate R22(8) loops. Weak N—HF hydrogen bonds, short FF contacts [2.763 (2) Å] and aromatic π–π stacking interactions [centroid–centroid separation = 3.5570 (11) Å] are also observed in the crystal structure.
organic compounds
Open access
In the title compound, C18H21F3N4O4, the piperazine ring adopts a chair conformation and the dihedral angle between the oxadiazole and benzene rings is 6.45 (14)°. The C atoms and their attached H atoms in the piperazine ring are disordered, with site-occupation factors of 0.576 (12) and 0.424 (12). In the crystal, molecules are linked through weak C—HO interactions, generating an R22(12) motif. Further, secondary C—HO intermolecular interactions link the molecules into C(6) chains along [100].
organic compounds
Open access
In the title compound, C18H20Cl2N2O2S, the piperazine ring adopts a chair conformation. The dihedral angle between the sulfonyl-bound benzene ring and the best-fit plane through the six non-H atoms of the piperazine ring is 72.22 (12)°; those between the dichlorobenzene ring and the sulfonyl and piperazine rings are 2.44 (13) and 74.16 (2)°, respectively. In the crystal, molecules are connected through weak C—HO interactions into a hexameric unit generating a R66(60) motif in the ab plane. The molecules are also connected into C(4) chains through weak C—HN interactions. The solvent used to grow the crystal was a mixture of dichloromethane and methanol, but the resulting electron density was uninterpretable. The solvent contribution to the scattering was removed with the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148–155]. The formula mass and unit-cell characteristics do not take into account the disordered solvent.
organic compounds
Open access
In the title compound, C13H9ClN2O5S, the dihedral angle between the benzene rings is 74.86 (11)°. The molecule is twisted at the S atom, with a dihedral angle of 82.53 (13)° between the sulfonyl benzene ring and the S—N—C=O segment. In the crystal, molecules are linked into inversion dimers through pairs of N—HO hydrogen bonds, thereby forming R22(8) loops. Molecules are linked into C(7) [010] chains by weak C—HO hydrogen bonds, and C—Hπ interactions are also observed.
organic compounds
Open access
In the title salt, C11H17N2O2S+·CF3COO−, the cation is protonated at the secondary piperazine N atom. The dihedral angle between the benzene ring and the piperazine mean plane is 85.54 (10)°. In the crystal, cations and anions are connected by two types of strong N—HO hydrogen bonds into chains extending along [101]. The chains are further assembled into (10-1) layers via stacking interactions between benzene rings of the cations [centroid–centroid distance = 3.7319 (13) Å] and a C—HO interaction involving a piperazine C—H group and a sulfonyl O atom. Another C—HO interaction between the piperazine ring and the sulfonyl group connects the ions into a three-dimensional network.
organic compounds
Open access
In the title compound, C18H20F2N2O2S, the central piperazine ring adopts a chair conformation. The dihedral angle between the two benzene rings is 40.20°, whereas those between the piperazine ring (considering the best fit plane through all the non-H atoms) and the sulfonyl-bound benzene and difluorobenzene rings are 74.96 and 86.16°, respectively. In the crystal, molecules are stacked along the a axis through weak C—HO and C—HF interactions.
organic compounds
Open access
The title molecule, C6H7N3O, is almost planar (r.m.s. deviation = 0.0068 Å) and adopts an E conformation about the C=N double bond. In the crystal, molecules are linked by pairs of strong N—HN hydrogen bonds, forming inversion dimers with R22(10) motifs. The dimers are further linked into C(3) chains through O—HN hydrogen bonds.
organic compounds
Open access
In the title compound, C14H12ClNO4S, the dihedral angle between the chloro- and methoxy-substituted benzene rings is 87.40 (1)°. In the crystal, adjacent molecules form inversion-related dimers through strong N—HO hydrogen bonds, generating R22(8) loops. The dimers are further connected through two C—HO interactions that form C(11) chains and R22(14) loops. Aromatic π–π stacking interactions [centroid–centroid separation = 3.8574 (1) Å] are also observed.
organic compounds
Open access
In the title compound, C15H15NO4S, the dihedral angle between the methyl- and methoxy-substituted benzene rings is 88.99 (12)°. An intramolecular C—HO hydrogen bond occurs. In the crystal, adjacent molecules form inversion-related dimers through strong N—HO hydrogen bonds, generating R22(8) loops. The dimers are further connected through C—HO interactions that form C(8) chains parallel to (001). Molecules are also connected through other C—HO hydrogen bonds along the b axis, forming additional C(8) chains. Two aromatic π–π stacking interactions [centroid–centroid separations = 3.6150 (1) and 3.6837 (1) Å] generate a three-dimensional architecture.
organic compounds
Open access
In the title compound, C15H15NO4S, the dihedral angle between the benzene rings is 88.87 (1)°. In the crystal, adjacent molecules form inversion dimers through pairs of strong N—HO hydrogen bonds, generating R22(8) loops. Two C—Hπ interactions and an aromatic π–π interaction [centroid–centroid separation = 3.8191 (1) Å] are also observed.
organic compounds
Open access
The title compound, C31H27F3O7, is a liquid crystal and exhibits enantiotropic SmA and nematic phase transitions. In the crystal, the the 2H-chromene ring system makes dihedral angles of 54.46 (17) and 7.79 (16)°, respectively, with the central benzene ring and 4-(heptyloxy)benzene ring. The three F atoms of the –CF3 group are disordered over two sets of sites, with an occupancy ratio of 0.62 (3):0.38 (3). The crystal structre features two pairs of C—HO hydrogen bonds, which form inversion dimers and generate R22(10) and R22(30) ring patterns. C—HO interactions along [100] and C—Hπ interactions futher consolidate the packing, leading to a three-dimensional network.
organic compounds
Open access
In the title compound, C7H6F3NO2, all the non-H atoms except for one of the F atoms lie on a crystallographic mirror plane. In the crystal, the molecules are linked into inversion dimers by pairs of C—HF interactions, forming R22(10) loops. These dimers are connected into C(6) chains along [001] through N—HO hydrogen bonds. Aromatic π–π stacking interactions [centroid-centroid separation = 3.8416 (10) A°] connect the molecules into a three-dimensional network.
organic compounds
Open access
In the title compound, C13H13NO3, the conformation across the C=C bond is synperiplanar, the torsion angle of the segment C(ring)—C=C—C(N) being 3.2 (5)°. In the crystal, molecules are linked into inversion dimers, arranged in a zigzag pattern, through two C—HO interactions generating R22(10) and R22(14) motifs. These dimers are arranged in a zigzag pattern in the crystal structure. The molecules are further linked along the c axis through weak C—Hπ interactions, and weak ππ interactions [centroid–centroid separation = 3.9986 (17) Å] are also observed.
organic compounds
Open access
In the title compound, C15H15NO4S, the dihedral angle between the benzene rings is 78.62 (16)°. In the crystal, adjacent molecules are linked along the c axis into C(4) chains through strong N—HO hydrogen bonds. Molecules are further connected through C—HO hydrogen bonds into a hexameric unit generating an R66(66) motif. Another C—HO interaction connects the molecules along the c axis, forming C(5) chains. A region of disordered electron density, most probably disordered methanol–water solvent molecules, was treated with the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148–155]. The formula mass and unit-cell characteristics do not take into account this disordered solvent.
organic compounds
Open access
In the title compound, C10H5F5O2, the C=O bonds are syn to one another. In the crystal, molecules are linked into C(9) chains parallel to [101] through weak C—HO interactions, with the O atom adjacent to the –CF3 group acting as the acceptor.
organic compounds
Open access
The title compound, C14H12ClNO4S, crystallizes with two molecules in the asymmetric unit. The dihedral angles between the benzene rings are 89.68 (1) (molecule 1) and 82.9 (1)° (molecule 2). In each molecule, intramolecular N—HO hydrogen bonds between the amide H atom and the methoxy O atom generate S(6) loops. In the crystal, molecule 2 is linked into inversion dimers through pairs of C—HO interactions, forming an R22(8) ring motif. Molecules 1 and 2 are further linked along the b-axis direction through C—Hπ interactions. The crystal structure is further stabilized by several π–π stacking interactions [centroid–centroid separations = 3.7793 (1), 3.6697 (1) and 3.6958 (1) Å], thus generating a three-dimensional architecture.
organic compounds
Open access
In the title compound, C15H13F3N2O2·H2O, the dihedral angle between the benzene and pyridine rings is 74.97 (1)°. The –CF3 group attached to the benzene ring is syn to the C=O bond in the adjacent side chain. In the crystal, molecules are linked to one another through the water molecules by strong N—HO, O—HO and O—HN hydrogen bonds, forming a ladder-type network. The benzamide molecules are also linked to one another through C—HF interactions, forming C(6) chains parallel to the b-axis direction. Aromatic π–π stacking interactions [centroid–centroid separations = 3.7150 (1) and 3.7857 (1) Å] between adjacent pairs of pyridine and benzene rings are also observed, resulting in a three-dimensional architecture are also observed.
organic compounds
Open access
In the title sulfonamide derivative, C11H10ClN3O2S, the dihedral angle between the pyridine rings is 46.85 (12)°. The N atom of the chloropyridine ring is anti to the N—H bond. In the crystal, molecules are linked through N—HN hydrogen bonds into zigzag chains parallel to [001] with a C(7) graph-set motif.