tert-Butyl 2-{[5-(4-cyano-phen-yl)pyridin-3-yl]sulfon-yl}acetate.

In the title compound, C18H18N2O4S, the dihedral angle between the aromatic rings is 33.71 (9)° and an intra-molecular C-H⋯O hydrogen bond closes an S(6) ring. In the crystal, mol-ecules are linked by C-H⋯O and C-H⋯N hydrogen bonds to generate a three-dimensional network. A very weak aromatic π-π stacking inter-ction is also observed [centroid-centroid separation = 3.9524 (10) Å].

Crystal structure of 1-tosyl-1,2,3,4-tetra-hydro-quinoline.

In the title compound, C16H17NO2S, the heterocyclic ring adopts a half-chair conformation and the bond-angle sum at the N atom is 350.2°. The dihedral angle between the planes of the aromatic rings is 47.74 (10)°. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds to generate [010] chains.

N-(4-Meth-oxy-benzo-yl)-2-methyl-benzene-sulfonamide.

In the title compound, C15H15NO4S, the dihedral angle between the aromatic rings is 80.81 (1)° and the dihedral angle between the planes defined by the S-N-C=O fragment and the sulfonyl benzene ring is 86.34 (1)°. In the extended structure, dimers related by a crystallographic twofold axis are connected by pairs of both N-H⋯O hydrogen bonds and C-H⋯O inter-actions, which generate R 2 (2)(8) and R 2 (2)(14) loops, respectively. A weak aromatic π-π stacking inter-action is also observed [centroid-centroid separation = 3.7305 (3) Å].

2-Chloro-N-(4-meth-oxy-benzo-yl)-benzene-sulfonamide.

In the title compound, C14H12ClNO4S, the dihedral angle between the aromatic rings is 82.07 (1)° and the dihedral angle between the planes defined by the S-N-C=O fragment and the sulfonyl benzene ring is 82.46 (3)°. In the crystal, the mol-ecules are linked into C(4) chains running along [001] by strong N-H⋯O hydrogen bonds. A C-H⋯O intera-ction reinforces the [001] chains: its graph-set symbol is C(7). The chains are cross-linked into (100) sheets by further C-H⋯O inter-actions as C(6) chains along [001]. The structure also features weak π-π stacking inter-actions [centroid-centroid distances = 3.577 (1) and 3.8016 (1) Å].

N-Ethyl-2,2-dimethyl-N-(3-methyl-phen-yl)propanamide.

In the title compound, C14H21NO, the conformation across the N-C(O) bond is syn-periplanar, the C-N-C-C torsion being -5.9 (5)°. The atoms of the ethyl group attached to the N atom are disordered over two sets of sites with occupancy ratios of 0.65 (2):0.35 (2) (CH2) and 0.689 (14):0.311 (14) (CH3)are linked by very weak C-H⋯O inter-actions forming C(8) chains along [001]. C-H⋯π inter-actions link the mol-ecules along the c-axis direction.

6-(4-Fluoro-phen-yl)-3-phenyl-7H-1,2,4-tri-azolo[3,4-b][1,3,4]thia-diazine.

In the title compound, C16H11FN4S, the dihedral angles between the triazole ring and the phenyl and fluoro-benzene rings are 23.22 (17) and 18.06 (17)°, respectively. The six-membered heterocyclic ring adopts a distorted envelope conformation, with the methyl-ene C atom as the flap. In the crystal, the mol-ecules are linked by two C-H⋯N and C-H⋯F inter-actions along [010], forming C(5), C(8) and C(13) chains repectively. C-H⋯π inter-actions involving the phenyl ring and π-π inter-actions [centroid-centroid separation for triazole rings = 3.5660 (18) Å] are also observed.

N'-Hy-droxy-pyridine-2-carboximidamide.

The title mol-ecule, 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, mol-ecules are linked by pairs of strong N-H⋯N hydrogen bonds, forming inversion dimers with R 2 (2)(10) motifs. The dimers are further linked into C(3) chains through O-H⋯N hydrogen bonds.

4-(Dec-yloxy)phenyl 2-oxo-7-trifluoro-methyl-2H-chromene-3-carboxyl-ate.

The title compound, C27H29F3O5, is a liquid crystal (LC) and exhibits enanti-otropic SmA phase transitions. In the crystal, the dihedral angle between the 2H-chromene ring system and the benzene ring is 62.97 (2)°. The three F atoms of the -CF3 group are disordered over two sets of sites with occupancy factors 0.71 (4):0.29 (4). In the crystal, pairs of C-H⋯O hydrogen bonds form inversion dimers and generate R 2 (2)(10) rings. The structure also features C-H⋯F and C-H⋯π inter-actions along [100] and [010], respectively.

2-Amino-5-fluoro-benzoic acid.

In the title compound, C7H6FNO2, the mol-ecule is almost planar (r.m.s. deviation for the non-H atoms = 0.015 Å) and an intra-molecular 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 R2(2)(8) loops. Weak N-H⋯F hydrogen bonds, short F⋯F contacts [2.763 (2) Å] and aromatic π-π stacking inter-actions [centroid-centroid separation = 3.5570 (11) Å] are also observed in the crystal structure.

2-[5-(2-Fluoro-phen-yl)-3-isobutyl-1H-pyrazol-1-yl]benzoic acid.

In the title compound, C(20)H(19)FN(2)O(2), the dihedral angle between the aromatic rings is 62.1 (1)°, and those between the pyrazole ring and the fluoro-benzene and benzoic acid rings are 52.1 (1) and 53.1 (1)°, respectively. In the crystal, mol-ecules are linked into [010] C(7) chains by O-H⋯N hydrogen bonds.

(2,3-Difluoro-phen-yl)(4-tosyl-piperazin-1-yl)methanone.

In the title compound, C(18)H(18)F(2)N(2)O(3)S, 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 fluoro-benzene and sulfonyl rings and the fluoro-benzene and piperazine rings are 30.97 (2) and 75.98 (2)°, respectively. In the crystal, mol-ecules are connected to form a tetra-meric unit through C-H⋯O hydrogen bonds. The structure is further stabilized by weak inter-molecular C-H⋯F inter-actions, generating C(8) and C(7) chains running along [100].

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

The title compound, C(10)H(16)N(4), crystalizes with two mol-ecules (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 mol-ecules are disordered over two sets of sites with occupancy factors 0.508 (11):0.492 (11). In the crystal, the A mol-ecules are linked to one another through N-H⋯N hydrogen bonds, generating R(2) (2)(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 tetra-meric unit.

4-(Oct-yloxy)phenyl 2-oxo-2H-chromene-3-carboxyl-ate.

In the title compound, C(24)H(26)O(5), the 2H-chromene ring system is essentially planar, with a maximum deviation of 0.029 (2) Šfrom the best-fit mean plane incorporating both rings. The dihedral angle between the 2H-chromene ring system and the benzene ring is 21.00 (1)°. In the crystal, pairs of C-H⋯O hydrogen bonds generate an R(2) (2)(8) ring pattern. These contacts are bolstered by weaker bifurcated C-H⋯O hydrogen bonds.

4'-Cyano-biphenyl-4-yl 7-diethyl-amino-2-oxo-2H-chromene-3-carboxyl-ate.

In the title compound, C(27)H(22)N(2)O(4), the dihedral angles between the central benzene ring and the cyano-benzene ring and the 2H-coumarin ring system (r.m.s. deviation = 0.014 Å) are 22.95 (11) and 75.59 (8)°, respectively. Both terminal C atoms of the pendant diethyl-amino group lie to the same side of the coumarin ring system [deviations = 1.366 (2) and 1.266 (2) Å]. In the crystal, mol-ecules are linked by C-H⋯O and C-H⋯N hydrogen bonds and a C-H⋯π inter-action, generating a three-dimensional network.

4-Meth-oxy-N-(pyridin-4-ylmeth-yl)-3-(tri-fluoro-meth-yl)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, mol-ecules are linked to one another through the water mol-ecules by strong N-H⋯O, O-H⋯O and O-H⋯N hydrogen bonds, forming a ladder-type network. The benzamide mol-ecules are also linked to one another through C-H⋯F inter-actions, forming C(6) chains parallel to the b-axis direction. Aromatic π-π stacking inter-actions [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.

N-[(2-Chloro-phen-yl)sulfon-yl]-2-meth-oxy-benzamide.

The title compound, C14H12ClNO4S, crystallizes with two mol-ecules in the asymmetric unit. The dihedral angles between the benzene rings are 89.68 (1) (mol-ecule 1) and 82.9 (1)° (mol-ecule 2). In each mol-ecule, intra-molecular N-H⋯O hydrogen bonds between the amide H atom and the meth-oxy O atom generate S(6) loops. In the crystal, mol-ecule 2 is linked into inversion dimers through pairs of C-H⋯O inter-actions, forming an R 2 (2)(8) ring motif. Mol-ecules 1 and 2 are further linked along the b-axis direction through C-H⋯π inter-actions. The crystal structure is further stabilized by several π-π stacking inter-actions [centroid-centroid separations = 3.7793 (1), 3.6697 (1) and 3.6958 (1) Å], thus generating a three-dimensional architecture.

2-Chloro-N-(3-meth-oxy-benzo-yl)benzene-sulfonamide.

In the title compound, C14H12ClNO4S, the dihedral angle between the chloro- and meth-oxy-substituted benzene rings is 87.40 (1)°. In the crystal, adjacent mol-ecules form inversion-related dimers through strong N-H⋯O hydrogen bonds, generating R 2 (2)(8) loops. The dimers are further connected through two C-H⋯O inter-actions that form C(11) chains and R 2 (2)(14) loops. Aromatic π-π stacking inter-actions [centroid-centroid separation = 3.8574 (1) Å] are also observed.

N-(3-Meth-oxy-benzo-yl)-4-methyl-benzene-sulfonamide.

In the title compound, C15H15NO4S, the dihedral angle between the benzene rings is 88.87 (1)°. In the crystal, adjacent mol-ecules form inversion dimers through pairs of strong N-H⋯O hydrogen bonds, generating R 2 (2)(8) loops. Two C-H⋯π inter-actions and an aromatic π-π inter-action [centroid-centroid separation = 3.8191 (1) Å] are also observed.

4-[4-(Hept-yloxy)benzo-yloxy]phenyl 2-oxo-7-tri-fluoro-methyl-2H-chromene-3-carboxyl-ate.

The title compound, C31H27F3O7, is a liquid crystal and exhibits enanti-otropic 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-(hept-yloxy)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 R 2 (2)(10) and R 2 (2)(30) ring patterns. C-H⋯O inter-actions along [100] and C-H⋯π inter-actions futher consolidate the packing, leading to a three-dimensional network.

N-[(2-Chloro-phen-yl)sulfon-yl]-3-nitro-benzamide.

In the title compound, C13H9ClN2O5S, the dihedral angle between the benzene rings is 74.86 (11)°. The mol-ecule 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, mol-ecules are linked into inversion dimers through pairs of N-H⋯O hydrogen bonds, thereby forming R 2 (2)(8) loops. Mol-ecules are linked into C(7) [010] chains by weak C-H⋯O hydrogen bonds, and C-H⋯π inter-actions are also observed.