2-[5-(2-Fluoro­phen­yl)-3-isobutyl-1H-pyrazol-1-yl]benzoic acid

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—H...N hydrogen bonds.

(2,3-Difluoro­phen­yl)(4-tosyl­piperazin-1-yl)methanone

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—H...O hydrogen bonds. The structure is further stabilized by weak inter­molecular C—H...F inter­actions, generating C(8) and C(7) chains running along [100].

4-Methyl-6-(piperidin-1-yl)pyrimidin-2-amine

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—H...N 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—H...N hydrogen bonds, resulting in a tetra­meric unit.

Ethyl 5-bromo­naphtho­[2,1-b]furan-2-carboxyl­ate

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 Br...Br [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.

1-Tosyl-4-[2-(trifluoro­meth­yl)benz­yl]piperazine

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—H...π inter­actions.

2-Amino-5-fluoro­benzoic acid

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—H...O hydrogen bond closes an S(6) ring. In the crystal, inversion dimers linked by pairs of O—H...O hydrogen bonds generate R₂²(8) loops. Weak N—H...F hydrogen bonds, short F...F 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.

tert-Butyl 4-{5-[3-(tri­fluoro­meth­oxy)phen­yl]-1,2,4-oxa­diazol-3-yl}piperazine-1-carboxyl­ate

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—H...O inter­actions, generating an R₂²(12) motif. Further, secondary C—H...O inter­molecular inter­actions link the mol­ecules into C(6) chains along [100].

An unknown solvate of 1-(2,4-di­chloro­benz­yl)-4-[(4-methyl­phen­yl)sulfon­yl]piperazine

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—H...O 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—H...N 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.

N-[(2-Chloro­phen­yl)sulfon­yl]-3-nitro­benzamide

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—H...O hydrogen bonds, thereby forming R₂²(8) loops. Mol­ecules are linked into C(7) [010] chains by weak C—H...O hydrogen bonds, and C—H...π inter­actions are also observed.

4-(4-Methyl­phenyl­sulfon­yl)piperazin-1-ium tri­fluoro­acetate

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—H...O 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—H...O inter­action involving a piperazine C—H group and a sulfonyl O atom. Another C—H...O inter­action between the piperazine ring and the sulfonyl group connects the ions into a three-dimensional network.

1-(3,4-Di­fluoro­benz­yl)-4-(4-methyl­phenyl­sulfon­yl)piperazine

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—H...O and C—H...F inter­actions.

N′-Hy­droxy­pyridine-2-carboximidamide

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—H...N hydrogen bonds, forming inversion dimers with R₂²(10) motifs. The dimers are further linked into C(3) chains through O—H...N hydrogen bonds.

2-Chloro-N-(3-meth­oxy­benzo­yl)benzene­sulfonamide

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—H...O hydrogen bonds, generating R₂²(8) loops. The dimers are further connected through two C—H...O 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.

N-(3-Meth­oxy­benzo­yl)-2-methyl­benzene­sulfonamide

In the title compound, C₁₅H₁₅NO₄S, the dihedral angle between the methyl- and meth­oxy-substituted benzene rings is 88.99 (12)°. An intra­molecular C—H...O hydrogen bond occurs. In the crystal, adjacent mol­ecules form inversion-related dimers through strong N—H...O hydrogen bonds, generating R₂²(8) loops. The dimers are further connected through C—H...O inter­actions that form C(8) chains parallel to (001). Mol­ecules are also connected through other C—H...O 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.

N-(3-Meth­oxy­benzo­yl)-4-methyl­benzene­sulfonamide

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—H...O hydrogen bonds, generating R₂²(8) loops. Two C—H...π inter­actions and an aromatic π–π inter­action [centroid–centroid separation = 3.8191 (1) Å] are also observed.

4-[4-(Hept­yloxy)benzo­yloxy]phenyl 2-oxo-7-tri­fluoro­methyl-2H-chromene-3-carboxyl­ate

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—H...O hydrogen bonds, which form inversion dimers and generate R₂²(10) and R₂²(30) ring patterns. C—H...O inter­actions along [100] and C—H...π inter­actions futher consolidate the packing, leading to a three-dimensional network.

Methyl 4-(tri­fluoro­meth­yl)-1H-pyrrole-3-carboxyl­ate

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—H...F inter­actions, forming R₂²(10) loops. These dimers are connected into C(6) chains along [001] through N—H...O hydrogen bonds. Aromatic π–π stacking inter­actions [centroid-centroid separation = 3.8416 (10) A°] connect the mol­ecules into a three-dimensional network.

Ethyl (2E)-2-cyano-3-(4-meth­oxy­phen­yl)acrylate

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—H...O 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—H...π inter­actions, and weak π...π inter­actions [centroid–centroid separation = 3.9986 (17) Å] are also observed.

4-Meth­oxy-N-[(4-methyl­phen­yl)sulfon­yl]benzamide including an unknown solvate

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—H...O hydrogen bonds. Mol­ecules are further connected through C—H...O hydrogen bonds into a hexa­meric unit generating an R⁶₆(66) motif. Another C—H...O 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.

1-(3,5-Di­fluoro­phen­yl)-4,4,4-tri­fluoro­butane-1,3-dione

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—H...O inter­actions, with the O atom adjacent to the –CF₃ group acting as the acceptor.

N-[(2-Chloro­phen­yl)sulfon­yl]-2-meth­oxy­benzamide

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—H...O 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—H...O inter­actions, forming an R₂²(8) ring motif. Mol­ecules 1 and 2 are further linked along the b-axis direction through C—H...π 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.

4-Meth­oxy-N-(pyridin-4-ylmeth­yl)-3-(tri­fluoro­meth­yl)benzamide monohydrate

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—H...O, O—H...O and O—H...N hydrogen bonds, forming a ladder-type network. The benzamide mol­ecules are also linked to one another through C—H...F 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.

6-Chloro-N-(pyridin-4-ylmeth­yl)pyridine-3-sulfonamide

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—H...N hydrogen bonds into zigzag chains parallel to [001] with a C(7) graph-set motif.