In the title molecule, C17H20N2O2, the imidazolidine ring adopts a twist conformation. The mean plane through the five atoms of the imidazolidine ring makes dihedral angles of 70.18 (4) and 74.14 (4)° with the planes of the two aromatic rings. The dihedral angle between the benzene rings is 53.11 (5)°. Both phenol –OH groups form intramolecular hydrogen bonds to the N atoms, with graph-set motif S(6). In the crystal, pairs of O—H⋯O hydrogen bonds link the molecules into dimers with R
4(18) ring motifs. The crystal packing is further stabilized by C—H⋯O and weak C—H⋯π interactions.
In the title compound, C19H24N2O2, a di-Mannich base derived from 2-methylphenol and 1,3,6,8-tetraazatricyclo[220.127.116.11,8]dodecane, the imidazolidine ring adopts a twist conformation, with a twist about the ring N—C bond [C—N—C—C torsion angle = −44.34 (14)°]. The two 2-hydroxy-3-methylbenzyl groups are located in trans positions with respect to the imidazolidine fragment. The structure displays two intramolecular O—H⋯N hydrogen bonds, which each form an S(6) ring motif. In the crystal, the molecules are linked by weak C—H⋯O interactions with a bifurcated acceptor, forming a three-dimensional network.
The imidazolidine ring in the title compound, C19H24N2O2, adopts a twist conformation and its mean plane (r.m.s. deviation = 0.19 Å) makes dihedral angles of 72.38 (9) and 71.64 (9)° with the two pendant aromatic rings. The dihedral angle between the phenyl rings is 55.94 (8)°. The molecular structure shows the presence of two intramolecular O—H⋯N hydrogen bonds between the phenolic hydroxyl groups and N atoms with graph-set motif S(6). In the crystal, C—H⋯O hydrogen bonds lead to the formation of chains along the b-axis direction.
The title Schiff base compound, C21H26N2O4, exhibits two crystallographically independent molecules in the asymmetric unit with similar conformations. The imino groups are coplanar with the benzene rings; the maximum deviations of the N atoms from the planes comprising the benzene rings and the imino groups are −0.037 (4), 0.013 (4), −0.021 (5), and 0.008 (5) Å. The dihedral angles between the benzene rings in the two molecules are 53.64 (17) and 51.93 (17)°. Strong intramolecular O—H⋯N hydrogen bonds generate S(6) ring motifs. The N atoms are also in close proximity to the H atoms of the dimethylpropane groups, with H⋯N distances between 2.54 and 2.75 Å. The crystal structure is further stabilized by weak intermolecular C—H⋯O hydrogen bonds, weak intermolecular C—H⋯π interactions and π–π contacts involving the imine C atom and two C atoms from the adjacent benzene rings.
The title compound, C18H20Br2N2O2, the heterocyclic ring adopts a chair conformation. The benzene rings make dihedral angles of 86.84 (10) and 60.73 (10)° with the mean plane of the heterocyclic ring. The dihedral angle between the two benzene rings is 79.77 (10)°. The molecular structure is stabilized by two intramolecular hydrogen bonds between the phenolic hydroxy groups and N atoms with graph-set motif S(6). The crystal structure is stabilized by weak C—H⋯π interactions.
The imidazolidine ring in the title compound, C17H18Cl2N2O2, adopts a twist conformation. The observed conformation is stabilized by two intramolecular O—H⋯N hydrogen bonds, with both N atoms acting as hydrogen-bond acceptors. The phenyl substituents are aligned at 70.0 (1) and 76.6 (1)° with respect to the best plane through the five atoms of the imidazolidine ring. Weak intermolecular C—H⋯O interactions stabilize the crystal packing.
The asymmetric unit of the title Schiff base compound, C21H26N2O4, consists of four crystallographically independent molecules, viz. A, B, C and D. The A and D, and the B and C molecules are related by a pseudo-inversion centre, and the remaining pairs of molecules differ in the orientations of one of the methoxy groups. In each independent molecule, intramolecular O—H⋯N hydrogen bonds generate two S(6) ring motifs. The dihedral angles between the benzene rings in molecules A, B, C and D are 65.86 (19), 50.41 (19), 68.59 (19) and 50.85 (19)°, respectively. In the crystal structure, molecules are linked by C—H⋯O hydrogen bonds, forming R
2(8) dimers. In addition, weak C—H⋯π interactions are observed.
The title compound, C25H30N2O6, has the imidazolidine ring in an envelope conformation. There are two intramolecular O—H⋯N hydrogen-bond interactions with graph-set motif S(6). The cyclohexane ring adopts a slightly distorted chair conformation. One methyl carboxylate substituent forms a dihedral angle of 12.00 (5)° with the plane of the benzene ring, while the other methyl carboxylate group is almost coplanar, making a dihedral angle of 2.26 (9)°. In the crystal, pairs of intermolecular C—H⋯O hydrogen bonds form racemic dimers, corresponding to an R
2(18) graph-set motif. Further weak C—H⋯O interactions generate a chain running along the c axis.
In the solid state, the title compound, C22H10N2S, forms centrosymmetric dimers by pairs of non-classical C—H⋯S hydrogen bonds linking approximately coplanar molecules. The benzene ring involved in this interaction makes a dihedral angle of only 7.21 (16)° with the thiophene ring, while the other benzene ring is twisted somewhat out of the plane, with a dihedral angle of 39.58 (9)°. The hydrogen-bonded dimers stack on top of each other with an interplanar spacing of 3.44 Å. C—H⋯N hydrogen bonds link together stacks that run in approximately perpendicular directions. Each molecule thus interacts with 12 adjacent molecules, five of them approaching closer than the sum of the van der Waals radii for the relevant atoms. Optimization of the inter-stack contacts contributes to the non-planarity of the molecule.
The title Schiff base compound, C21H26N2O4, is a second triclinic polymorph of a previously reported room-temperature structure [Jia (2009 ▶). Acta Cryst. E65, o646]. Strong intramolecular O—H⋯N hydrogen bonds generate S(6) ring motifs. Intermolecular C—H⋯O interactions link neighbouring molecules into dimers with an R
2(16) ring motif. The mean planes of the two benzene rings are almost perpendicular to each other, making a dihedral angle of 88.24 (5)°. An interesting feature of the crystal structure is the intermolecular short C⋯O [3.1878 (13) Å] contact which is shorter than the sum of the van der Waals radii of the relevant atoms. The crystal structure is further stabilized by intermolecular C—H⋯π and π–π interactions [centroid–centroid distance = 3.7414 (6) Å]. The structure has a stereogenic centre but the space group is centrosymmetric, so the molecule exists as a racemate.
In the title molecule, C28H18O10, the two central benzene rings form a dihedral angle of 31.0 (1)°. In the phthalic acid fragments, the carboxy groups in the meta positions are approximately coplanar with the attached benzene rings, being inclined to their planes at 2.7 (1) and 10.3 (1)°, while the carboxy groups in the ortho positions are twisted from the benzene ring planes by 83.5 (1) and 75.4 (1)°. In the crystal, O—H⋯O hydrogen bonds link the molecules into layers parallel to the bc plane. Weak C—H⋯O hydrogen bonds and π–π interactions between the aromatic rings [centroid–centroid distance = 3.7674 (3) Å] further consolidate the crystal packing.
In the crystal structure, the title Schiff base compound, C23H30N2O4, exhibits crystallographic twofold rotation symmetry. The imino group is coplanar with the aromatic ring with an N—C—C—C torsion angle of -179.72 (9)°. An intramolecular O—H⋯N hydrogen bond forms a six-membered ring, producing an S(6) ring motif. The dihedral angle between symmetry related benzene rings is 28.05 (5)°. The ethoxy group makes a C—O—C—C torsion angle of −7.20 (16)° with the benzene ring. The crystal structure is stabilized by intermolecular C—H⋯π interactions.
In the title N-heterocyclic carbene compound, C32H30N4
−, the mean plane of the naphthalene ring system makes dihedral angles of 79.15 (15) and 76.85 (16) with the imidazole rings and 56.15 (19) and 80.56 (16)° with the benzene rings. An intramolecular C—H⋯N hydrogen bond occurs. The crystal structure is stabilized by C—H⋯F interactions. In addition, π–π interactions [centroid–centroid distances = 3.848 (1) and 3.574 (3) Å] are observed. The nine equatorial F atoms in the two PF6
− anions were disordered over two positions with occupancy ratios of 0.545 (10):0.455 (10) and 0.793 (11):0.207 (11) in the two anions.
There is one cation–anion pair in the asymmetric unit of the title compound [systematic name: 4-(3-carboxy-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)-1-ethylpiperazin-1-ium 2,4,6-trinitrophenolate], C19H23FN3O3
−. The six-membered piperazine group in the cation adopts a slightly distorted chair conformation and contains a protonated N atom. The dihedral angles between the mean planes of the cyclopropyl and piperazine rings in the cation with the 10-atom ring system of the quinolone group are 48.1 (1) and 69.9 (5)°, respectively. The picrate anion interacts with the protonated N atom of an adjacent cation through a bifurcated N—H⋯O three-center hydrogen bond, forming an R
2(6) ring motif. Furthermore, there is an intramolecular O—H⋯O hydrogen bond. The dihedral angle between the mean planes of the anion benzene and cation piperizine, quinoline and cyclopropyl rings are 61.3 (6), 31.1 (4) and 70.4 (9)°, respectively. The mean planes of the two o-NO2 and single p-NO2 groups in the picrate anion are twisted by 6.7 (6), 38.3 (9) and 12.8 (7)° with respect to the mean plane of the benzene ring. Strong N—H⋯O and weak intermolecular C—H⋯O hydrogen bonds in concert with weak π–π stacking interactions [centroid–centroid distances = 3.5785 (13), 3.7451 (12) and 3.6587 (13) Å] dominate the crystal packing.
In the title compound, C25H36N2O2, the two tert-butyl-substituted benzene rings are inclined at an angle of 53.5 (3)° to one another. The imidazolidine ring has an envelope conformation with with one of the C atoms of the ethylene fragment as the flap. The structure displays two intramolecular O—H⋯N hydrogen bonds that generate S(6) ring motifs. The crystal studied was a non-merohedral twin with a fractional contribution of 0.281(6) for the minor domain.
In the title compound, C21H26N2O4, there is half a molecule in the asymmetric unit with a crystallographic twofold rotation axis passing through the central C atom of the –CH=N—O—(CH2)5—O—N=CH– bridge. The dihedral angle formed by the two benzene rings is 80.85 (2)°. Strong intramolecular O—H⋯N and C—H⋯O hydrogen bonds help to establish the molecular conformation. There are also weak intermolecular π–π stacking interactions between neighbouring benzene rings [centroid–centroid separation = 3.502 (3) Å].
In the title compound, C40H29N3O3S, the pyran ring adopts a sofa conformation, the thiazolidine ring adopts a twisted conformation and the pyrrolidine ring adopts an envelope conformation with the N atom as the flap. The pyrazole ring is essentially planar [maximum deviation = 0.002 (2) Å] and forms dihedral angles of 4.8 (1) and 39.0 (1)°, respectively, with the benzene rings attached to the N and C atoms. The acenapthylene ring system is approximately planar [maximum deviation = 0.058 (2) Å] and forms dihedral angles of 85.9 (1) and 48.5 (1)°, respectively, with the pyrollothiazole and chromene ring systems. The molecular conformation is stabilized by three weak intramolecular C—H⋯O hydrogen bonds, which generate one S(8) and two S(6) ring motifs. In the crystal, pairs of C—H⋯O hydrogen bonds link centrosymmetrically related molecules into dimers, generating R
2(14) ring motifs. The crystal packing also features pairs of C—H⋯π interactions, which link the dimers into a supramolecular chain along the b axis.
In the title compound, C16H11Cl2NOS, the seven-membered thiazepine ring adopts a distorted twist-boat conformation. The dihedral angle between the mean plane of the benzothiazepine ring system and the benzene ring is 78.6 (1)°. The molecular conformation is stabilized by a weak intramolecular C—H⋯Cl hydrogen bond, which generates an S(5) ring motif. In the crystal, pairs of N—H⋯O hydrogen bonds link inversion-related molecules into dimers, generating R
2(8) ring motifs. The crystal packing also features alternating π–π interactions between benzothiazepine benzene rings [inter-centroid distance = 3.740 (3) Å] and dichlorobenzene rings [inter-centroid distance = 3.882 (3) Å] to consolidate a three-dimensional architecture.
The title Schiff base compound, C17H13N3O3, crystallizes in a zwitterionic form and exists in a trans configuration about the C=N bond. The molecule is slightly twisted, the dihedral angle between the benzene ring and naphthalene ring system being 10.80 (9)°. The nitro group is twisted relative to the plane of the benzene ring [dihedral angle = 8.88 (12)°]. Bifurcated intramolecular N—H⋯N and N—H⋯O hydrogen bonds formed between iminium groups and amine N atoms and naphthalen-2-olate O atoms generate S(5) and S(6) ring motifs, respectively. In the crystal, neighbouring zwitterions are linked through weak C—H⋯O interactions, giving rise to screw chains along . Molecules in these chains are linked to those of an adjacent chains through N—H⋯O hydrogen bonds and weak C—H⋯O interactions, forming sheets parallel to the ac plane. O⋯C [2.895 (3) Å] short contacts and π–π interactions [centroid–centroid distance = 3.8249 (19) Å] are also observed.
In the centrosymmetric title compound, [CdNi2(C17H16N2O2)2(HCOO)2(H2O)2]·2H2O, The NiII cation is chelated by a 2,2′-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolate (salpn) anion, and further coordinated by a formate anion and a water molecule in a distorted NiN2O4 octahedral geometry. The CdII cation, located on an inversion center, is coordinated by four deprotonated hydroxy groups from two salpn anions and two carboxylate O atoms from formate anions in a distorted octahedral geometry. Both formate and salpn anions bridge the Cd and Ni cations, forming a trinuclear complex. Within the salpn anion, the benzene rings are twisted to each other at a dihedral angle of 61.46 (18)°. Intermolecular O—H⋯O hydrogen bonding is present in the crystal structure. The lattice water molecule is disorder over two positions with an occupancy ratio of 0.75:0.25.
The asymmetric unit in the title compound, C24H26N2O3, comprises two independent molecules (A and B). In molecule A, the central 2-hydroxyphenyl ring is inclined to the mean plane of the major component of the imidazolidine ring by 84.52 (14)°, and by 68.08 (9) and 47.48 (9)° to the outer phenol rings. The later are inclined to one another by 66.76 (9)° and by 78.12 (14) and 80.20 (14)° to the imidazoline ring mean plane. In molecule B, the central 2-hydroxyphenyl ring is inclined to the mean plane of the imidazolidine ring by 73.64 (10)°, and by 75.60 (8) and 38.32 (9)° to the outer phenol rings. The later are inclined to one another by 69.47 (9)° and by 82.60 (10) and 64.26 (10)° to the imidazolidine ring mean plane. In each of the independent molecules, two intramolecular O—H⋯N hydrogen bond form S(6) ring motifs. In disordered molecule A, the O—H groups of the 2-hydroxybenzyl groups are also involved in intramolecular O—H⋯O hydrogen bonds, with the O atom of the hydroxyphenyl group acting as the acceptor. In the crystal, A molecules are linked by pairs of O—H⋯O hydrogen bonds forming inversion dimers. These dimers are linked to the B molecules via O—H⋯O hydrogen bonds forming double-layered slabs lying parallel to the bc plane.
In the title hexahydropyrimidine derivative, C28H42N2O4·0.19H2O, the 1,3-diazinane ring has a chair conformation with a diequatorial substitution. The asymmetric unit contains one half-organic molecule and a solvent water molecule with occupany 0.095. The molecule lies on a mirror plane perpendicular to  which passes through the C atoms at the 2- and 5-positions of the heterocyclic system. The partially occupied water molecule is also located on this mirror plane. The dihedral angle between the planes of the aromatic rings is 17.71 (3)°. Two intramolecular O—H⋯N hydrogen bonds with graph-set motif S(6) are present. No remarkable intermolecular contacts exist in the crystal structure.
In the title complex, [Cu(C23H28N2O4)]·H2O, the CuII ion has a distorted planar geometry, coordinated by the N2O2 unit of the tetradentate Schiff base ligand. The asymmetric unit comprises one complex molecule and a water molecule of crystallization. The water H atoms form bifurcated O—H⋯(O,O) intermolecular hydrogen bonds with the O atoms of the phenolate and ethoxy groups with R12(5) and R12(6) ring motifs, which may, in part, influence the molecular configuration. The dihedral angle between the two O—Cu—N coordination planes is 31.02 (6)° and the dihedral angle between the two benzene rings is 34.98 (7)°. In the crystal structure, molecules are linked together by intermolecular C—H⋯O interactions, forming extended chains along the a axis. The crystal structure is further stabilized by intermolecular C—H⋯π and π–π [centroid–centroid = 3.5068 (13) Å] interactions.
The title compound, C12H15F2N2O+·C6H2N3O7
−, a picrate salt of 4-[(E)-(2,4-difluorophenyl)(hydroxyimino)methyl]piperidine, crystallizes with two independent molecules in a cation–anion pair in the asymmetric unit. In the cation, a methyl group is trisubstituted by hydroxyimino, piperidin-4-yl and 2,4-difluorophenyl groups, the latter of which contains an F atom disordered over two positions in the ring [occupancy ratio 0.631 (4):0.369 (4)]. The mean plane of the hydroxy group is in a synclinical conformation nearly orthogonal [N—C—C—C = 72.44 (19)°] to the mean plane of the piperidine ring, which adopts a slightly distorted chair conformation. The dihedral angle between the mean plane of the 2,4-difluorophenyl and piperidin-4-yl groups is 60.2 (3)°. In the picrate anion, the mean planes of the two o-NO2 and single p-NO2 groups adopt twist angles of 5.7 (2), 25.3 (7) and 8.3 (6)°, respectively, with the attached planar benzene ring. The dihedral angle between the mean planes of the benzene ring in the picrate anion and those in the hydroxyimino, piperidin-4-yl and 2,4-difluorophenyl groups in the cation are 84.9 (7), 78.9 (4) and 65.1 (1)°, respectively. Extensive hydrogen-bond interactions occur between the cation–anion pair, which help to establish the crystal packing in the unit cell. This includes dual three-center hydrogen bonds with the piperidin-4-yl group, the phenolate and o-NO2 O atoms of the picrate anion at different positions in the unit cell, which form separate N—H⋯(O,O) bifurcated intermolecular hydrogen-bond interactions. Also, the hydroxy group forms a separate hydrogen bond with a nearby piperidin-4-yl N atom, thus providing two groups of hydrogen bonds, which form an infinite two-dimensional network along (011).
In the title hydrate, C24H30N2O4·H2O, the organic molecule adopts an E conformation with respect to the azomethine double bonds. The cyclohexane ring is in a chair conformation. The dihedral angle between benzene rings is 79.6 (2)°. Two intramolecular O—H⋯N hydrogen bonds are present. In the crystal, the components are linked by O–H⋯O hydrogen bonds and weak C—H⋯π interactions, generating a three-dimensional supramolecular architecture.