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The title compound crystallizes as a hemihydrate, C18H20N2O5·0.5H2O. The molecule exists in anEconformation with respect to the C=N imine bond. The 4-methoxyphenyl unit is disordered over two sets of sites with a refined occupancy ratio of 0.54 (2):0.46 (2). The dihedral angles between the benzene rings are 29.20 (9) and 26.59 (9)°, respectively, for the major and minor components of the 4-methoxy-substituted ring. All methoxy substituents lie close to the plane of the attached benzene rings [the Cmethyl—O—C—C torsion angles range from −4.0 (12) to 3.9 (2)°]. In the crystal, the components are linked into chains propagating along [001]viaN—H...O and O—H...O hydrogen bonds and weak C—H...O interactions.

In the structure of the title salt, C20H20NO+·C6H4FO3S−, the 4-(ethoxyphenyl)ethenyl unit is disordered over two positions with a refined site-occupancy ratio of 0.610 (6):0.390 (6). The cation is nearly planar, the dihedral angle between the quinolinium and benzene rings being 6.7 (4) and 1.7 (7)° for the major and minor components, respectively. The ethoxy group is essentially coplanar with the benzene ring [C—O—C—Cmethy = 177.1 (8) and 177.8 (12)° for the major and minor components, respectively]. In the crystal, cations and anions are linked into chains along the b-axis direction by C—H...Osulfonyl weak interactions. These chains are further connected into sheets parallel to (001) by C—H...Osulfonyl weak interactions. The chains are also stacked along the a axis through π–π interactions involving the quinolinium and benzene rings [centroid–centroid distances = 3.636 (5) Å for the major component and 3.800 (9) Å for the minor component]. C—H...π interactions are also present.

In the structure of the title nicotinonitrile derivative, C19H15N3O, the pyridine ring makes dihedral angles of 11.50 (7) and 43.36 (8)° with the 4-aminophenyl and phenyl rings, respectively, and the dihedral angle between the phenyl rings is 36.28°. In the crystal, molecules are linked by N—H...N hydrogen bonds into wave-like sheets parallel to (10-2). These sheets are stacked by π–π interactions between the 4-aminophenyl rings of adjacent sheets, with centroid–centroid distances of 3.7499 (9) Å. C—H...π interactions are also present.

The asymmetric unit of the title compound, C15H12FN3S, consists of two independent molecules with comparable geometries. In one molecule, the 1,3-benzothiazole ring system (r.m.s. deviation = 0.011 Å) forms a dihedral angle of 19.86 (6)° with the phenyl ring. The corresponding r.m.s. deviation and dihedral angle for the other molecule are 0.014 Å and 22.32 (6)°, respectively. In the crystal, molecules are linked via N—H...N, C—H...F and C—H...N hydrogen bonds into a three-dimensional network. The crystal studied was a non-merohedral twin with a refined BASF value of 0.301 (2).

In the title compound, C18H17N5OS, the mean plane of the pyrazole ring [maximum deviation = 0.0031 (12) Å] forms dihedral angles of 19.6 (4) and 9.3 (5)° with the two disorder components of the N-bound benzene ring (with equal occupancies for the two orientations) and a dihedral angle of 72.58 (8)° with the C—O-bonded benzene ring. The molecule exists in a trans conformation with respect to the N=C bond [1.2792 (19) Å]. The molecular structure features an intramolecular C—H...O hydrogen bond, forming an S(6) ring. In the crystal, N—H...N and N—H...S hydrogen bonds result in the formation of zigzag layers lying parallel to (10-1).

The title compound, C22H22N2OS, exists in a cis conformation with respect to the N=C bond. The cyclohexene ring adopts a distorted sofa conformation. The thiazolidine ring is essentially planar with a maximum deviation of 0.025 (2) Å and forms dihedral angles of 63.50 (7) and 57.52 (6)° with the benzene rings. In the crystal, molecules are linked by C—H...O and C—H...N hydrogen bonds, generating R 2 2(8) ring motifs, and forming infinite chains along the c axis. The crystal is further consolidated by C—H...π interactions.

The asymmetric unit of the title compound, C20H15N3O, contains two independent molecules, each of which is disordered over two sets of sites corresponding to a rotation of approximately 180° of the dihydrobenzimidazoquinazoline moiety, with refined site occupancies of 0.7479 (13) and 0.2521 (12) for both molecules. The pyrimidine rings are in sofa conformations. In one molecule, the hydroxy-substituted benzene ring forms dihedral angles of 83.9 (3) and 82.4 (4)° for the major and minor components, respectively, with the mean plane of the benzimidazole ring system. The corresponding dihedral angles in the other molecule are 88.31 (14) and 85.8 (6)°. In the crystal, molecules are linked via intermolecular O—H...N and N—H.·O hydrogen bonds into chains along [100].

In the isoquinoline ring system of the title molecule, C19H24N2O6, the N-heterocyclic ring is in a half-boat conformation. The molecular structure is stabilized by an intramolecular O—H...O hydrogen bond, which generates an S(7) ring motif. In the crystal, molecules are linked via intermolecular bifurcated N—H...(O,O) and weak C—H...O hydrogen bonds into a three-dimensional network.

The asymmetric unit of the title compound, [Sn(C(6)H(5))(3)(C(7)H(5)N(2)O(4))], consists of two independent mol-ecules. In each mol-ecule, the four-coordinated Sn(IV) atom exists in a distorted tetra-hedral geometry and two intra-molecular N-H⋯O hydrogen bonds with S(6) ring motifs are present. In one mol-ecule, the benzene ring of the 2-amino-3-nitro-benzoate ligand makes dihedral angles of 42.74 (11), 89.66 (13) and 53.04 (10)° with the three phenyl rings. The corresponding dihedral angles for the other mol-ecule are 6.29 (11), 66.55 (11) and 62.33 (10)°. In the crystal, a weak inter-molecular C-H⋯π inter-action and a π-π stacking inter-action with a centroid-centroid distance of 3.5877 (12) Å are observed.

In the isoquinoline ring system of the title compound, C(19)H(22)N(2)O(5), the N-heterocyclic ring is in a half-chair conformation. The dioxa-2-aza-spiro ring is essentially planar [maximum deviation of 0.025 (1) Å] and forms a dihedral angle of 23.51 (5)° with the benzene ring. In the crystal, mol-ecules are linked via weak inter-molecular C-H⋯O and C-H⋯N hydrogen bonds into chains along [010].

In the isoquinoline ring system of the title mol-ecule, C(18)H(20)N(2)O(5), the N-heterocyclic ring is in a half-boat conformation. The dioxa-2-aza-spiro ring is essentially planar, with a maximum deviation of 0.029 (1) Å, and makes a dihedral angle of 30.63 (5)° with the benzene ring. The mol-ecular structure is stabilized by a weak intra-molecular C-H⋯O hydrogen bond, which generates a S(6) ring motif. In the crystal, mol-ecules are linked via weak inter-molecular C-H⋯O hydrogen bonds into a three-dimensional supra-molecular network. Additional stabilization is provided by π-π stacking inter-actions between symmetry-related benzene rings with a centroid-centroid distance of 3.6507 (5) Å.

The title 1:1 adduct, C(5)H(5)BrN(2)·C(7)H(6)O(3), contains two mol-ecules of each species in the asymmetric unit, with similar geometries. In the crystal, mol-ecules are linked to form extended chains along [100] by N-H⋯O, O-H⋯O, O-H⋯N and C-H⋯O hydrogen bonds. Adjacent chains are crosslinked via further N-H⋯O inter-actions into sheets lying parallel to (001). The crystal studied was an inversion twin with a 0.54 (2):0.46 (2) domain ratio.

In the title compound, C30H26N2O3, the two pyrrolidine rings adopt twisted and envelope conformations, whereas the cyclopentane ring adopts an envelope conformation. The least-squares planes through the pyrrolidine rings form a dihedral angle of 41.72 (10)°. The molecular structure is stabilized by an intramolecular O—H...N hydrogen bond, which generates an S(5) ring motif. Centrosymmetrically related molecules are linked via two pairs of intermolecular C—H...O interactions, forming R22(16) ring motifs. In the crystal packing, the molecules are linked into two-dimensional networks parallel to the ab plane via C—H...O interactions.

THE CRYSTAL STRUCTURE OF THE TITLE COMPOUND [SYSTEMATIC NAME: 5,6,10-trihydr-oxy-7-isopropyl-1,1,4a-trimethyl-2,3,4,4a-tetra-hydro-phenanthren-9(1H)-one], C(20)H(26)O(4), has been reported previously [Salae et al. (2009 ▶). Acta Cryst. E65, o2379-o2380], but the absolute configuration could not be determined as there was no significant anomalous dispersion using data collected with Mo radiation. The absolute configuration has now been determined by refinement of the Flack parameter with data collected using Cu radiation. The absolute configuration at position 4a of the diterpenoid is (R)-methyl; other features of the mol-ecule and its crystal packing are similar to those previously described.

The title molecule, C7H7Cl2N3OS, is approximately planar [maximum deviation = 0.062 (1) Å]. Short intermolecular distances between the centroids of the five-membered rings [3.5340 (8) Å] indicate the existence of π–π interactions. An interesting feature of the crystal structure is the presence of short intramolecular Cl...N interactions [3.0015 (11) Å]. Molecules are linked via pairs of intermolecular N—H...O hydrogen bonds, generating R22(8) ring motifs. Furthermore, N—H...O hydrogen bonds form R21(7) ring motifs with C—H...O contacts, further consolidating the crystal structure. In the crystal, molecules are linked by these intermolecular interactions, forming chains along [001].

In the title compound, C13H12O5, the mean plane of the 2H-chromene ring system (r.m.s deviation = 0.026 Å) forms a dihedral angle of 81.71 (6)° with the mean plane of ethyl 2-hydroxyacetate moiety (r.m.s deviation = 0.034 Å). In the crystal, C—H...O hydrogen bonds result in the formation of zigzag layers parallel to the bc plane.

In the title compound, C11H9ClN2OS, the thiazole ring is nearly planar (r.m.s. deviation = 0.003 Å) and forms a dihedral angle of 64.18 (7)° with the bezene ring. In the crystal, inversion dimers linked by pairs of N—H...Nt (t = thiazole) hydrogen bonds generate R22(8) loops.

In the title compound, C16H16BrNO, the dihedral angle between the benzene rings is 69.8 (2)°. In the crystal, N—H...O hydrogen bonds link the molecules into C(4) chains propagating in [100]. Adjacent molecules in the chains are also linked by C—H...O interactions which, along with the N—H...O hydrogen bonds, generate R21(6) loops.

In the title compound, C18H14BrNO, the naphthalene ring system [maximum deviation = 0.015 (3) Å] forms a dihedral angle of 67.70 (10)° with the benzene ring. In the crystal, molecules are linked by N—H...O hydrogen bonds into C(4) chains propagating in [100]. A C—H...O interaction reinforces the chain connectivity, generating an R21(6) loop.

In the title compound, C24H18N2O3S, the benzofuran ring system (r.m.s. deviation = 0.010 Å) forms dihedral angles of 83.13 (17) and 8.92 (14)° with the benzene and thiazole rings, respectively. The dihedral angle between the benzene and thiazole rings is 84.51 (19)°. The molecular structure features an intramolecular C—H...O hydrogen bond, which closes an S(6) ring. There are no intermolecular hydrogen bonds observed in this structure.

In the title compound, C15H12N2OS, the naphthalene ring system [maximum deviation = 0.026 (1) Å] forms a dihedral angle of 85.69 (6)° with the thiazole ring [maximum deviation = 0.010 (1) Å]. In the crystal, inversion dimers linked by pairs of N—H...N hydrogen bonds generateR22(8) loops. The dimers are linked by C—H...O hydrogen bonds into chains propagating along [110].

The title compound, C21H19BrN2OS, exists in a cis conformation with respect to the N=C bond [1.2602 (14) Å]. The cyclohexene ring adopts a distorted half-chair conformation and the C—N bond lies in an equatorial orientation. The thiazolidine ring forms dihedral angles of 53.76 (7) and 57.22 (7)° with the benzene and bromo-substituted benzene rings, respectively. The dihedral angle between the benzene and bromo-substituted benzene rings is 76.06 (7)°. In the crystal, inversion dimers linked by pairs of C—H...O hydrogen bonds generate R22(14) loops. The crystal is further consolidated by weak C—H...π interactions.

The title compound, C(16)H(11)ClN(2)O(2)·H(2)O, exists in an E conformation with respect to the N=C bond. The benzofuran ring system forms a dihedral angle of 1.26 (4)° with the benzene ring. In the crystal, mol-ecules are linked via (N,C)-H⋯O bifurcated acceptor hydrogen bonds and (O,O,C)-H⋯O trifurcated acceptor hydrogen bonds, forming layers parallel to the bc plane.

The title compound, C(14)H(11)ClFN(3)O·H(2)O, exists in an E conformation with respect to the N=C bond. The pyridine ring forms a dihedral angle of 5.00 (9)° with the benzene ring. In the crystal, the ketone O atom accepts one O-H⋯O and one C-H⋯O hydrogen bond, the water O atom accepts one N-H⋯O and two C-H⋯O hydrogen bonds and the pyridine N atom accepts one O-H⋯N hydrogen bond, forming layers parallel to the ab plane.

In the title compound, C(13)H(9)F(2)N(3)O, the pyridine ring forms a dihedral angle of 16.92 (7)° with the benzene ring. In the crystal, mol-ecules are linked via N-H⋯O, C-H⋯O and C-H⋯F, with the same O atom accepting two bonds.

In the title compound, C10H13N3O, the hydrazinecarboxamide N—N—C(=O)—N unit is nearly planar [maximum deviation = 0.018 (2) Å] and is inclined at a dihedral angle of 8.45 (10)° with respect to the plane of the phenyl ring. The molecular structure is stabilized by an intramolecular C—H...O hydrogen bond which generates an S(6) ring motif. In the crystal, molecules are linked into an inversion dimer by pairs of N—H...O and C—H...O hydrogen bonds.

The title compound, C7H6N2O4, is approximately planar (r.m.s. deviation = 0.026 Å for the 13 non-H atoms). The molecular structure is stabilized by intramolecular N—H...O hydrogen bonds, which generate S(6) ring motifs. In the crystal, molecules are linked via intermolecular N—H...O, O—H...O and C—H...O hydrogen bonds into a three-dimensional network.

In the title compound, C14H11Cl2NO, the benzene rings form a dihedral angle of 3.14 (6)°. Overall, the molecule is close to being planar (r.m.s. deviation for all the non-H atoms = 0.054 Å). No significant directional intermolecular interactions are observed in the crystal structure.

The conformation of the title compound, C(27)H(21)NO(3), is stabilized by a weak intra-molecular C-H⋯O hydrogen bond, which generates an S(6) ring motif. The pyrrolidine ring adopts a half-chair conformation. Both of the other five-membered rings are in envelope conformations. No significant inter-molecular hydrogen bonds are observed.

The complete mol-ecule of the title compound, C(24)H(32)N(2)O(4), is generated by a crystallographic inversion center. The 1,2-diethyl-hydrazine moiety is nearly planar, with a maximum deviation of 0.024 (1) Å, and is inclined at a dihedral angle of 54.20 (4)° with the phenyl ring. In the crystal, [001] chains are formed, with adjacent mol-ecules in the chain linked by pair of inter-molecular N-H⋯O hydrogen bonds, generating R(2) (2)(10) ring motifs. Inter-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions are also observed.

In the title compound, C(22)H(16)O(2), the phenanthrene ring system is essentially planar [maximum deviation = 0.058 (1) Å] and is inclined at an angle of 58.39 (6)° to the phenyl ring. The 1,4-dioxane ring is in a chair conformation. In the crystal, mol-ecules are stacked along the b axis, but no significant hydrogen bonds are observed.

In the title 1:1 adduct, C7H5NO4·C7H7NO2, the nitro group of the 4-nitro benzoic acid is twisted from the attached ring by 4.40 (8)°. In the crystal, the mol­ecules are linked into ribbon-like structures along [150] and [1\overline{5}0] via O—H⋯O, N—H⋯O, N—H⋯N and C—H⋯O inter­molecular hydrogen bonds.