In the title compound, C13H12N2O4, the dihedral angle between the benzene and pyrimidine rings is 55.57 (13)°. The carbonyl group and the two methoxyl groups are approximately coplanar with the benzene ring and pyrimidine ring; the C—C—C—O, C—O—C—N and C—O—C—C torsion angles being −6.1 (5), −4.8 (4) and 179.9 (3)°, respectively. In the crystal, molecules are linked via C—H⋯O interactions, forming chains propagating along .
In the title molecule, C24H23Cl2N3O7, the central benzene ring forms dihedral angles of 65.71 (1) and 44.42 (1)° with the pyrimidine ring and the terminal benzene ring, respectively. In the crystal, molecules are linked via C—H⋯O hydrogen bonds.
In the title compound, C15H17N3O3, the dihedral angle between the pyrimidine and benzene rings is 87.0 (7)°. In the crystal, molecules are linked into inversion dimers with R
2(8) graph-set motifs by a pair of N—H⋯O hydrogen bonds. Weak C—H⋯O hydrogen bonds and intermolecular π–π interactions [centroid–centroid distance = 3.544 (1) Å] are also observed.
In the title compound, C20H18Cl2N4O8, the two pyrimidine rings are inclined at dihedral angles of 66.68 (5) and 71.91 (6)° with respect to the central benzene ring. In the crystal structure, intermolecular C—H⋯N hydrogen bonds link neighbouring molecules into a ribbon-like structure along the b axis. The ribbons are interconnected into a two-dimensional network parallel to the bc plane by short intermolecular Cl⋯Cl [3.4427 (6) Å] and Cl⋯O [3.1420 (9) and 3.1750 (11) Å] interactions. The crystal structure is further stabilized by intermolecular π–π interactions [centroid–centroid distance 3.4552 (8) Å] involving the pyrimidine rings.
In the title compound, C20H18Br2N4O8, the interplanar angle of the pyrimidine rings is 75.1 (2)°. The central benzene ring is inclined at interplanar angles of 66.5 (2) and 71.9 (2)° with respect to the two pyrimidine rings. In the crystal structure, adjacent molecules are connected into two-molecule-thick arrays parallel to the bc plane via short Br⋯Br [3.5328 (12) Å] and Br⋯O [3.206 (3) and 3.301 (4) Å] interactions. A weak intermolecular π–π aromatic stacking interaction [centroid–centroid distance = 3.526 (3) Å] is also observed.
In the title compound, C20H16BrFN4O3, the pyrimidine and 2-bromo-4-fluorophenyl rings are twisted away from the central benzene ring, making dihedral angles of 77.7 (1) and 85.5 (1), respectively. A pair of C—H⋯F interactions is involved in an R
2(8) motif, linking the molecules into dimers. These ring motifs are situated about the crystallographic centres of symmetry. C—H⋯O hydrogen bonds link the dimers into chains running parallel to . Additionally, a weak C—F⋯π-electron ring interaction was observed in the crystal packing [F⋯Cg = 3.459 (4) Å; Cg is the centroid of the pyrimidine ring]. There is also an intramolecular N—H⋯Br interaction in the structure.
The title compound, C13H13ClN2O3, was synthesized in the course of the search for novel bioactive pyrimidine derivatives. The C—O—C angle at the phenoxy O atom is widened to 119.87 (18)°. The dihedral angle between the pyrimidine and benzene rings is 64.2 (3)°.
In the title compound, C25H21F2N3O5, the pyrimidine and difluorobenzyloxy rings are twisted away from the central quinoline ring system, making dihedral angles of 54.6 (1) and 74.1 (1)°, respectively. A weak C—H⋯O interaction links symmetry-related molecules, forming a pseudo-dimer. π–π interactions between the quinoline rings of symmetry-related molecules [centroid–centroid distance = 3.5479 (10) Å] link these dimers into chains parallel to . Weak C—H⋯π interactions join adjacent chains, forming a two-dimensional layer parallel to (101).
The molecule of the title compound, C22H26N2O4, has two azomethine linkages, both of which are in an E configuration. The cyclohexyl ring adopts a chair conformation. The dihedral angle between the benzene rings is 66.57 (9)°. The molecular structure is stabilized by two intramolecular O—H⋯N hydrogen bonds.
In the title co-crystal C6H9N3O2·C10H9NO2, the 4,6-dimethoxypyrimidin-2-amine molecule interacts with the carboxyl group of the 2-(1H-indol-3-yl)acetic acid molecule through N—H⋯O and O—H⋯N hydrogen bonds, forming a cyclic hydrogen-bonded R
2(8) motif, which is further linked by an N—H⋯N hydrogen bond, forming a supramolecular chain along the c axis. Neighboring chains are interlinked via C—H⋯O hydrogen bonds, forming a supramolecular ladder
The title compound, C32H32O6, crystallized with two independent molecules in the asymmetric unit. Each molecule has essentially the same feature of non-coplanar aromatic rings whereby the two 4-isopropoxybenzoyl groups are twisted in a perpendicular manner to the naphthalene ring and oriented in the same direction (syn-orientation). The benzene rings of the aroyl groups make dihedral angles of 16.13 (7) and 25.31 (7)° in the two molecules. These benzene rings make dihedral angles of 88.38 (8) and 75.32 (7)° with the naphthalene ring system in one molecule, and 89.71 (7) and 82.11 (7)° in the other. In the crystal, molecules are linked via C—H⋯O hydrogen bonds, forming a three-dimensional network. In one independent molecule, the 2-propyl groups of both isopropoxy groups are disordered over two positions with site occupancies of 0.512 (3) and 0.488 (3).
In the title sinomenine derivative, C26H28FNO4·1.5H2O, the dihedral angle between the two aromatic rings is 55.32 (6)°. The N-containing ring has an approximate chair conformation, while other two rings have approximate envelope and half-chair conformations. One water molecule is located on a twofold symmetry axis. In the crystal, the water molecules form O—H⋯O and O—H⋯N hydrogen bonds, bridging symmetry-related main molecules.
In the title compound, C33H34N6O6, the dihydrobenzimidazol-2-one ring system is essentially planar (r.m.s. deviation = 0.021 Å). The cyclohexane ring adopts a chair conformation. In the 5-(biphenyl-2-yl)-2H-tetrazole fragment, the tetrazole ring is twisted away from the attached benzene ring by 35.73 (11)° and the two benzene rings form a dihedral angle of 68.00 (9)°. An intramolecular C—H⋯O interaction is observed. In the crystal, the molecules are linked into a zigzag chain running along the b axis by intermolecular N—H⋯O hydrogen bonds.
In the title compound, C17H20N2O3, the methoxyphenyl unit is disordered over two sets of sites in a 0.715 (4):0.285 (4) ratio. The pyrazole ring forms dihedral angles of 55.88 (16) and 72.6 (4)° with the benzene rings of its major and minor components, respectively. The cyclohexane ring adopts a chair conformation and its C—N bond is in an equatorial orientation. In the crystal, molecules are linked into inversion dimers by pairs of O—H⋯O hydrogen bonds, generating R
The title compound, C26H30ClNO4, a sinomenine derivative, has five six-membered rings, two of which are aromatic, with a dihedral angle of 34.13 (20)° between these. The N-containing ring and the fourth ring exhibit chair conformations, while the fifth ring approximates an envelope conformation. A single intermolecular O—H⋯N hydrogen-bonding interaction gives a one-dimensional chain structure which extends along the a axis. The absolute configuration for the molecule has been determined.
The title compound, C15H23NO2S, contains cyclohexyl and ethyl substituents on the sulfonamide N atom and the cyclohexyl ring adopts a classic chair conformation. The dihedral angle between the benzene ring plane and the mean plane through the six atoms of the cyclohexyl ring is 59.92 (6)°. In the crystal structure, C—H⋯O hydrogen bonds link molecules into sheets extending in the bc plane.
The complete molecule of the title compound, C19H34N2S, is generated by crystallographic twofold symmetry, with the C=S group lying on the rotation axis. A short C—H⋯S contact occurs in the molecule. The five-membered ring is twisted and the cyclohexyl ring adopts a chair conformation. The dihedral angle between the mean plane of the five-membered ring and the basal plane of the cyclohexyl ring is 75.32 (13)°.
The title compound, C23H30N2O4, a di-Mannich base derived from 4-methoxyphenol and cis-1,2-diaminecyclohexane, has a perhydrobenzimidazolidine nucleus, in which the cyclohexane ring adopts a chair conformation and the heterocyclic ring has a half-chair conformation with a C—N—C—C torsion angles of −48.14 (15) and −14.57 (16)°. The mean plane of the heterocycle makes dihedral angles of 86.29 (6) and 78.92 (6)° with the pendant benzene rings. The molecular structure of the title compound shows the presence of two interactions between the N atoms of the imidazolidine ring and the hydroxyl groups through intramolecular O—H⋯N hydrogen bonds with graph-set motif S(6). The unobserved lone pairs of the N atoms are presumed to be disposed in a syn conformation, being only the second example of an exception to the typical ‘rabbit-ears’ effect in 1,2-diamines.
The title compound, C24H22N2O4·H2O, was obtained by the reaction of 3,4-dimethoxybenzaldehyde, malononitrile and 5-phenylcyclohexane-1,3-dione. The cyclohexyl and pyran rings show half-boat and V-shaped conformations, respectively. The dihedral angle between the phenyl and benzene ring planes is 30.67 (9)°. The organic molecules are packed in a two-dimensional network parallel to the bc plane stabilized by intermolecular N—H⋯N and N—H⋯O hydrogen bonds.
In the title compound, C40H32Cl2O4, the two chlorobenzene rings are in syn orientations with respect to the naphthalene ring system and make dihedral angles of 57.12 (6) and 85.74 (6)° with it. The benzene rings of the benzyloxy group make dihedral angles of 75.34 (6) and 83.95 (7)°, with the naphthalene ring system. In the crystal, the molecules are linked by intermolecular C—H⋯Cl interactions between the methylene H atoms of the benzyloxy group and the Cl atoms in adjacent molecules. Furthermore, centrosymmetrically related molecules are linked into dimeric units by pairs of C—H⋯π interactions.
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 compound, C19H24N2O3, the benzene ring forms a dihedral angle of 65.34 (7)° with the pyrazole ring. The cyclohexane ring adopts a chair conformation. In the crystal, molecules are linked into a inversion dimers by pairs of C—H⋯O hydrogen bonds, generating R
2(22) ring motifs.
In the molecule of the title compound, C20H25N3O3, the aromatic rings are oriented at a dihedral angle of 88.36 (3)°. The cyclohexane ring adopts a chair conformation. In the crystal structure, intermolecular N—H⋯O and O—H⋯N hydrogen bonds link the molecules. C—H⋯π interactions are also present.
In the title compound, C26H28INO4·H2O, benzene rings are inclined at a dihedral angle of 69.9 (1)°. The N-containing ring exhibits a chair conformation, while the other rings approximate to envelope conformations. In the crystal, the uncoordinated water molecule forms intermolecular O—H⋯O and O—H⋯N hydrogen bonds.
In the title compound, C26H28ClNO4·H2O, the dihedral angle betwene the two aromatic rings is 69.73 (6)°. The N-containing ring exhibits a chair conformation, while the other non-aromatic rings are in approximate envelope conformations. In the crystal, the water molecule forms O—H⋯O and O—H⋯N hydrogen bonds and a C—H⋯O link also occurs.