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 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, 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, 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 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)°.
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 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 asymmetric unit of the compound, C20H26N2O5·0.5C2H5OH, consists of two tetrahydropyrimidine-2,4-dione molecules and an ethanol molecule. The pyrimidine rings are nearly planar (r.m.s. deviation = 0.006 Å in one molecule and 0.009 Å in the other); the C atom at the 5-position deviates by 0.083 (3) Å [0.064 (3) Å in the second molecule] from the mean plane and the C atom at the 6-position by 0.034 (3) Å [0.082 (3) Å in the second molecule]. In each molecule, the benzene ring is nearly perpendicular to the pyrimidine ring, the dihedral angle is 88.51 (8)° in one molecule and 84.70 (8)° in the other. The amino group of each tetrahydropyrimidine-2,4-dione molecule is a hydrogen-bond donor to the exocyclic O atom at the 2-position of an adjacent molecule, the hydrogen bond generating an inversion dimer in each case. The ethanol molecule forms a hydrogen bond to the methoxy O atom of one of two independent molecules.
The title compound, C32H35NO4, is an unexpected product obtained in the SmI2-mediated radical cross-coupling of a lactam 2-pyridyl sulfone with an arone. The asymmetric unit contains two molecules. In both molecules, the core pyrrolidinone ring adopts an approximate envelope conformation (with the C atom bearling the benzyloxy substituent as the flap) and the cyclohexyl ring has a chair conformation. The relative orientation of the two substitutent groups at the 4- and 5-positions of the pyrrolidinone ring is anti in both molecules, with O(benzyloxy)—C—C—C(benzene) torsion angles of 150.8 (3) and 154.2 (2)°. In the crystal, C—H⋯O interactions involving carbonyl groups as acceptors lead to the formation of a tape motif propagating parallel to the a-axis direction.
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).
Two crystallographically independent molecules, A and B, with similar conformations are present in the asymmetric unit of the title compound, C18H16F2N4O4. In molecule A, the plane of the 1,2,4-triazole ring is tilted relative of the 4-difluoromethoxy-substituted and the 3,4-dimethoxy-substituted benzene rings by 6.5 (2) and 16.4 (1)°, respectively. The –CHF2 group is twisted away from the plane of the benzene ring, with a dihedral angle between the O—C bond of the OCHF2 group and the plane of the adjacent phenyl ring of 38.6 (3)°. The corresponding parameters for molecule B are 7.7 (1), 9.5 (2) and 25.2 (2)°. In both molecules, the conformations are stabilized by intramolecular N—H⋯N and C—H⋯O hydrogen bonds. There are also C—H⋯π contacts between the methyl groups and the benzene rings, and π–π stacking interactions between the benzene rings of adjacent parallel A molecules [centroid–centroid distance = 3.8942 (17) Å]. π–π interactions are also observed between the triazole ring and one of the benzene rings of parallel B molecules [centroid–centroid distance = 3.7055 (16) Å].
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, 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.
The molecule of the title compound, C26H26Br4O6, is located around a crystallographic inversion center. The dihedral angle between the central benzene ring and the outer benzene ring is 89.26 (1)°.
In the title compound, C28H24O6·CHCl3, the two 4-methoxybenzoyl groups at the 1- and 8-positions of the naphthalene ring system are aligned almost antiparallel, the benzene rings making a dihedral angle of 25.76 (7)°. The naphthalene ring system makes dihedral angles of 72.51 (7) and 73.33 (7)° with the benzene rings. In the crystal, the naphthalene molecules are linked by C—H⋯O interactions, forming a helical chain along the b-axis direction. A C—H⋯Cl interaction is also observed between the aroylated naphthalene and chloroform molecules. The chloroform molecule is disordered over two positions with site occupancies of 0.478 (5) and 0.522 (5).
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.
There are two conformationally similar molecules in the asymmetric unit of he title compound, C18H18O4, in which the dihedral angles between the benzene rings are 23.54 (12) and 31.11 (12)°. In the crystal, C—H⋯π interactions (minimum H⋯ring centroid distance = 2.66 Å) link the molecules into a layered structure extending down a.
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.
In the title compound, C17H18N2O4, the azomethine double bond adopts an E conformation with an N—N—C—C torsion angle of −178.3 (3)°. The benzene rings are almost coplaner, with a dihedral angle of 2.98 (14)° between their mean planes. In the crystal, the molecules are linked by N—H⋯O hydrogen bonds, resulting in chains of molecules lying parallel to the b axis. The structure is further consolidated by rather weak C—H⋯O hydrogen-bonding interactions, resulting in six-membered rings about inversion centers linked into chains arranged parallel to the b axis.
In the title molecule, C18H18O4, the dihedral angle between the benzene rings is 52.52 (7)°. The C=C bond of the central enone group adopts a trans conformation. The relative conformation of the two double bonds in the enone group is s-transoid. In the crystal, molecules are linked by pairs of weak C—H⋯O hydrogen bonds, forming inversion dimers.
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.
In the title molecule, C28H28O9, the phenol and the benzene rings adjacent to the α,β-unsaturated ketone unit are inclined at 9.15 (13)° to each other. The terminal phenyl ring is oriented with respect to the phenol ring at a dihedral angle of 85.88 (13)°. In the crystal, the methylene C atoms of the dihydrodioxine ring are disordered over two sites with an occupancy ratio of 0.463 (18):0.537 (18), and both disordered components of the dihydrodioxine ring adopt twisted-chair conformations. An intramolecular O—H⋯O hydrogen bond and weak intermolecular C—H⋯O hydrogen bonds are present in the crystal structure.