Isopropyl 1-benzoyl-4-benzo-yloxy-2,6-di-phenyl-1,2,3,6-tetrahydropyridine-3-carboxyl-ate.

In the title compound, C35H31NO5, the piperidine ring has an envelope conformation, with the phenyl-substituted C atom adjacent to the methyl-ene C atom as the flap. This flap atom deviates by 0.633 (2) Šfrom the mean plane of the other five essentially coplanar atoms in the ring (r.m.s. deviation = 0.044 Å). Intra-molecular C-H⋯O hydrogen bonds form S(7) and S(9) ring motifs. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds, forming inversion dimers with R (2) 2(16) loops.

Crystal structures of methyl 3-phenyl-4,5-di-hydro-1H,3H-benzo[4,5]imidazo[2,1-c][1,4]oxazepine-4-carboxyl-ate and methyl 1-methyl-3-phenyl-4,5-di-hydro-1H,3H-benzo[4,5]imidazo[2,1-c][1,4]oxazepine-4-carboxyl-ate.

The title compounds, C19H18N2O3, (I), and C20H20N2O3, (II), differ only by a methyl substituent on the seven-membered oxazepine ring in (II). In both compounds, these rings have a twist-chair conformation. The phenyl ring makes a dihedral angle of 73.42 (10)° with the benzimidazole ring system mean plane (r.m.s. deviation = 0.015 Å) in (I) and 83.07 (7)° in (II) (r.m.s. deviation = 0.026 Å). The methyl carboxyl-ate groups are planar to within 0.031 (2) in (I) and 0.003 (2) Šin (II). They are inclined to the phenyl and benzimidazole ring system by 33.78 (16) and 87.56 (14)°, respectively, in (I) and by 53.04 (12) and 60.22 (11)°, respectively, in (II). In the crystal of (I), mol-ecules stack in a herringbone fashion and are linked by C-H⋯O hydrogen bonds, forming chains along [100]. In the crystal of (II), there are no significant inter-molecular inter-actions present.

Crystal structure of (2E)-N-methyl-2-(2-oxo-1,2-di-hydroacenaphthylen-1-ylidene)hydrazinecarbo-thioamide.

In the title compound, C14H11N3OS, the ace-naphthyl-ene ring system and hydrazinecarbo-thio-amide unit (=N-NH-C=S-NH-) are essentially coplanar [with maximum deviations from their mean planes of -0.009 (2) and 0.033 (2) Å, respectively], and make a dihedral angle of 1.59 (9)°. The mol-ecular conformation is stabilized by two weak intra-molecular hydrogen bonds (N-H⋯O and N-H⋯N), which generate S(6) and S(5) ring motifs. In the crystal, mol-ecules are linked by N-H⋯S hydrogen bonds, forming chains along [010]. The chains are linked via pairs of C-H⋯O hydrogen bonds, enclosing R (2) 2(10) ring motifs, and C-H⋯π inter-actions, forming a three-dimensional framework. The absolute structure of the title compound was determined by resonant scattering.

Crystal structure of trans-aqua-(perchlorato-κO)bis-(propane-1,3-di-amine-κ(2) N,N')copper(II) perchlorate.

In the title compound, [Cu(ClO4)(C3H10N2)2(H2O)]ClO4, the Cu(II) atom has a distorted octa-hedral coordination sphere and is coordinated by the N atoms of two propane-1,3-di-amine ligands in the equatorial plane. The axial positions are occupied by a water O atom and an O atom of a disordered perchlorate anion [occupancy ratio 0.631 (9):0.369 (9)]. In the crystal, the various components are linked via O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, forming sheets lying parallel to (001).

Crystal structure of (2E)-N-methyl-2-[(4-oxo-4H-chromen-3-yl)methyl-idene]hydrazine-carbo-thio-amide.

In the title compound, C12H11N3O2S, the dihedral angle between the 4H-chromen-4-one ring system and the -CH=N-NH-CS-NH- unit is 6.22 (1)°. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds generate R 2 (2)(14) loops. The dimers are reinforced by a pair of C-H⋯O inter-actions, which generate R 2 (2)(10) loops.

Bis(1,10-phenanthrolin-1-ium) tetra-chlorido-zincate monohydrate.

In the crystal structure of the title compound, (C12H9N2)2[ZnCl4]·H2O, the two independent 1,10-phenanthrolinium cations are bridged by the water mol-ecule and the tetrahedral tetrachloridozincate anion via N-H⋯O, O-H⋯Cl and N-H⋯Cl hydrogen bonds, forming chains along [100]. The chains are linked via C-H⋯Cl hydrogen bonds and a number of π-π inter-actions [centroid-centroid distances vary from 3.5594 (14) to 3.7057 (13) Å], forming a three-dimensional network. In each 1,10-phenanthrolinium cation, there is a short N-H⋯N inter-action.

(4S)-5'-Chloro-3,7,7-trimethyl-5,6,7,8-tetra-hydro-4H-spiro-[1,2-oxazolo[5,4-b]quinoline-4,3'-indole]-2',5-dione.

In the title compound, C20H18ClN3O3, the five- and six-membered heterocycles fused through a spiro C atom are inclined to each other at an angle of 87.4 (1)°. In the tricyclic ring system, the cyclo-hexene ring adopts an envelope conformation with the spiro atom as the flap. In the crystal, two sets of N-H⋯O hydrogen bonds link the mol-ecules into columns containing centrosymmetric R 2 (2)(7) ring motifs and propagating along the b-axis direction.

Crystal structures of ethyl (2S*,2'R*)-1'-methyl-2'',3-dioxo-2,3-di-hydro-dispiro-[1-benzo-thio-phene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxyl-ate and ethyl (2S*,2'R*)-5''-chloro-1'-methyl-2'',3-dioxo-2,3-di-hydro-dispiro-[1-benzo-thio-phene-2,3'-pyrrolidine-2',3''-indoline]-4'-carboxyl-ate.

In the title compounds, C22H20N2O4S, (I), and C22H19ClN2O4S, (II), the pyrrolidine rings have twist conformations on the spiro-spiro C-C bonds. In (I), the five-membered ring of the oxindole moiety has an envelope conformation with the spiro C atom as the flap, while in (II) this ring is flat (r.m.s. deviation = 0.042 Å). The mean planes of the pyrrolidine rings are inclined to the mean planes of the indole units [r.m.s deviations = 0.073 and 0.069 Šfor (I) and (II), respectively] and the benzo-thio-phene ring systems (r.m.s. deviations = 0.019 and 0.034 Šfor (I) and (II), respectively) by 79.57 (8) and 88.61 (7)° for (I), and by 81.99 (10) and 88.79 (10)° for (II). In both compounds, the eth-oxy-carbonyl group occupies an equatorial position with an extended conformation. The overall conformation of the two mol-ecules differs in the angle of inclination of the indole unit with respect to the benzo-thio-phene ring system, with a dihedral angle between the planes of 71.59 (5) in (I) and 82.27 (7)° in (II). In the crystal of (I), mol-ecules are linked via pairs of N-H⋯O hydrogen bonds, forming inversion dimers enclosing R 2 (2)(14) loops. The dimers are linked via C-H⋯O and bifurcated C-H⋯O(O) hydrogen bonds, forming sheets lying parallel to (100). In the crystal of (II), mol-ecules are again linked via pairs of N-H⋯O hydrogen bonds, forming inversion dimers but enclosing smaller R 2 (2)(8) loops. Here, the dimers are linked by C-H⋯O hydrogen bonds, forming ribbons propagating along [010].

(4S)-3-Methyl-5,6,7,8-tetra-hydro-4H-spiro-[[1,2]oxazolo[5,4-b]quinoline-4,3'-indole]-2',5-dione.

In the title compound, C18H15N3O3, the dihedral angle between the mean planes of the quinoline and indole ring systems [r.m.s. deviations = 0.189 (2) and 0.027 (2) Å, respectively] is 88.65 (5)°. The cyclo-hexene ring of the quinoline ring system adopts an envelope conformation with the central -CH2- C atom as the flap. In the crystal, mol-ecules are linked by two pairs of N-H⋯O hydrogen bonds, forming inversion dimers, and enclosing R 2 (2)(14) ring motifs. This arrangement results in the formation of chains propagating along [100].

N-[(1E)-5-(3-Chloro-phen-yl)-3-methyl-cyclo-hex-2-en-1-yl-idene]hydroxyl-amine.

The whole of the title mol-ecule, C13H14ClNO, is disordered over two sets of sites with a refined occupancy ratio of 0.560 (6):0.440 (6). The oxime group having a C=N double bond adopts an E conformation. The dihedral angles between the rings (all atoms) are 89.5 (5) (major componenent) and 88.0 (6)° (minor component).

cis-Di-aqua-tetra-kis-(1-butyl-1H-imidazole-κN (3))nickel(II) dichloride.

In the title compound, [Ni(C7H12N2)4(H2O)2]Cl2, the nickel(II) ion has a distorted octa-hedral coordination environment. It is surrounded by three N atoms and one O atom occupying the equatorial plane, and one N and one O atom in the axial positions. The imidazole ring systems are inclined to one another with dihedral angles varying between 38.3 (4) and 74.1 (4)°. In the crystal, mol-ecules are linked via O-H⋯Cl hydrogen bonds involving one Cl(-) anion and the water mol-ecule in the equatorial plane, forming an inversion dimer-like arrangement. The water mol-ecule in the axial position is hydrogen-bonded to both Cl(-) anions. There are also a number of C-H⋯Cl hydrogen bonds present, forming a three-dimensional structure. All four alkyl chains are disordered over two positions with refined occupancy ratios of 0.395 (15):0.605 (15), 0.658 (14):0.342 (14), 0.332 (11):0.668 (11) and 0.622 (12):0.378 (12).

Di-aqua-dichlorido-bis-(pyridine-κN)cobalt(II).

The title mol-ecule, [CoCl2(C5H5N)2(H2O)2], has -1 symmetry with the Co(II) ion situated on an inversion centre. The cation has a distorted octa-hedral coordination environment and is surrounded by two N and two Cl atoms in the equatorial plane, while the coordinating water O atoms occupy the axial positions. The crystal exhibits nonmerohedral twinning with two domain states, the volume fractions of which were refined to 0.883 (2) and 0.117 (3). The crystal packing is stabilized by O-H⋯Cl hydrogen-bond inter-actions, forming two-dimensional networks lying parallel to (001). The crystal packing also features π-π inter-actions between the pyridine rings, with centroid-centroid separations of 3.493 (3) and 3.545 (3) Å.

cis-Bromido(methyl-amine)-bis-(propane-1,3-di-amine)-cobalt(III) dibromide.

In the title compound, [CoBr(CH5N)(C3H10N2)2]Br2, the cobalt(III) ion has a distorted octa-hedral coordination environment and is surrounded by four N atoms in the equatorial plane, with an additional N atom and the Br atom occupying the axial positions. In the crystal, the complex cation and the two counter anions are linked via N-H⋯Br and C-H⋯Br hydrogen bonds, forming a three-dimensional network.

Methyl 2-(5-chloro-1-methyl-2-oxo-2,3-di-hydro-1H-indol-3-ylidene)acetate.

The title compound, C12H10ClNO3, the indoline ring system is essentially planar, with a maximum deviation of 0.009 Šfor the N atom. The indoline ring and acetate group are essentially coplanar, with a maximum deviation of 0.086 Šfor the O atom. The mean plane through the methoxy-carbonyl-methyl group forms a dihedral angle of 3.68 (5)° with the plane of the indoline ring system. The mol-ecular structure is stabilized by an intra-molecular C-H⋯O hydrogen-bond inter-action. In the crystal, π-π stacking inter-actions [centroid-centroid distance = 3.7677 (8) Å] occur between benzene rings, forming a chain running along the c-axis direction.

rac-Methyl (1R,3'S)-1',1''-dimethyl-2,2''-dioxo-2H-dispiro-[acenaphthyl-ene-1,2'-pyrrolidine-3',3''-indoline]-4'-carboxyl-ate.

In the title compound, C(26)H(22)N(2)O(4), the pyrrolidine ring adopts a twisted conformation and the other five-membered rings adopt envelope conformations with the spiro C atoms as the flap atoms. The naphthalene ring system of the dihydro-acenaphthyl-ene group forms dihedral angles of 89.2 (9) and 75.5 (6)° with the pyrrolidine and indole rings, respectively. The pyrrolidine ring makes a dihedral angle of 80.1 (9)° with the indole ring. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds, forming chains along the b-axis direction.

(E)-2-({2-[(E)-(Hy-droxy-imino)-meth-yl]phen-oxy}meth-yl)-3-o-tolyl-acrylonitrile.

In the title compound, C(18)H(16)N(2)O(2), the dihedral angle between the mean planes through the two benzene rings is 56.8 (6)°. The enoate group assumes an extended conformation. The hy-droxy-ethanimine group is essentially coplanar with the benzene ring, the largest deviation from the mean plane being 0.047 (1) Šfor the hy-droxy-imino O atom. In the crystal, the mol-ecules are linked into cyclic centrosymmetric dimers with R(2) (2)(6) motifs via O-H⋯N hydrogen bonds.

(E)-Methyl 2-({2-eth-oxy-6-[(E)-(hy-droxy-imino)-meth-yl]phen-oxy}meth-yl)-3-phenyl-acrylate.

In the title compound, C(20)H(21)NO(5), the dihedral angle between the mean planes through the two rings is 47.1 (8)°. The enoate group assumes an extended conformation. The hy-droxy-ethanimine group is essentially coplanar with the benzene ring, the largest deviation from the mean plane being 0.061 (1) Šfor the O atom. In the crystal, mol-ecules are linked into cyclic centrosymmetric dimers with an R(2) (2)(6) motif via pairs of O-H⋯N hydrogen bonds. Inter-molecular C-H⋯O hydrogen bonds form a C(8) chain along the b axis. The crystal packing is further stabilized by C-H⋯π inter-actions.

Methyl (E)-2-({2-[(E)-(hy-droxy-imino)-meth-yl]phen-oxy}meth-yl)-3-(4-methyl-phen-yl)acrylate.

In the title compound, C(19)H(19)NO(4), the dihedral angle between the mean planes through the benzene rings is 82.18 (7)°. The C=N double bond is trans-configured. The mol-ecules are linked into centrosymmetric dimers via pairs of O-H⋯N hydrogen bonds with the motif R(2) (2)(6). The crystal packing also features C-H⋯O inter-actions. The methyl group attached to one of the aromatic rings is disordered over two almost equally occupied positions [occpancy ratio = 0.51 (4):0.49 (4)].

A triclinic polymorph of methyl (3R,3'S)-1',1''-dimethyl-2,2''-dioxodispiro-[indoline-3,2'-pyrrolidine-3',3''-indoline]-4'-carboxyl-ate.

In the title compound, C22H21N3O4, the central pyrrolidine ring adopts a C-envelope conformation with a C atom 0.6593 (13) Šdisplaced from the mean plane formed by the remaining ring atoms. The indoline ring systems (r.m.s. devisations of 0.0356 and 0.0547 Å) are almost perpendicular to the mean plane of the pyrrolidine ring, making dihedral angles of 89.7 (6) and 82.5 (6)°. The acetate group attached to the pyrrolidine ring assumes an extended conformation. In the crystal,N-H⋯O and C-H⋯O hydrogen bonds connect adjacent molecules, forming an infinite tape extending along [1-1-1]. The crystal packing is further consolidated by strong π-π inter-actions with a centroid-centroid distance of 3.2585 (8) Å. The title compound is a polymorph of previously reported monoclinic structure [Ganesh et al. (2012 ▶). Acta Cryst. E68, o2902-o2903].

3'-[Hy-droxy(4-oxo-4H-chromen-3-yl)meth-yl]-2-oxospiro-[indoline-3,2'-pyrrolidine]-3'-carbonitrile.

In the title compound, C(23)H(19)N(3)O(4), the pyran ring adopts a half-chair conformation, while the pyrrolidine (with a C atom as the flap atom) and the five-membered ring in the indoline (with a C atom as the flap atom) ring system adopt slight envelope conformations. The pyrrolidine ring makes dihedral angles of 83.3 (1) and 60.4 (1)° with the mean plane through all non-H atoms of the indoline and chromene ring systems, respectively. In the crystal, mol-ecules are connected by two unique N-H⋯O and O-H⋯O hydrogen-bonding inter-actions, which form centrosymmetric patterns described by graph-set motifs R(2) (2)(18) and R(2) (2)(14). These two motifs combine to form a hydrogen-bonded chain which propagates in the a-axis direction. The crystal structure is also stablized by C-H⋯O inter-actions and by aromatic π-π stacking inter-actions between the pyran and benzene rings of neighbouring mol-ecules [centroid-centroid distance = 3.755 (1) Šand slippage = 1.371 (2) Å].