In the title molecule, C34H32Cl2N2O2, the tetrahydropyridine ring adopts a distorted boat conformation and both 4-chlorophenyl substituents are in axial positions. An intramolecular N—H⋯O hydrogen bond is formed by the amino group and carbonyl O atom. In the crystal, weak C—H⋯Cl interactions link the molecules into chains along .
The title molecule, C21H28O5, is composed of three six-membered rings (A/B/C) and a five-membered ring (D). Ring A adopts a 1α-sofa conformation, while rings B and C adopt chair conformations. Cyclopentane ring D adopts a 14α-envelope conformation. In the crystal, O—H⋯O hydrogen bonds lead to the formation of ribbons running along the a axis. The structure is further consolidated by C—H⋯O interactions, which link the molecules head-to-tail into ribbons along the a axis.
There are two independent molecules in the asymmetric unit of the title phenoxyethanol derivative, C10H14O2, Each molecule has an approximately planar structure except for the hydroxy groups (r.m.s. deviations = 0.0281 and 0.0144 Å). The ethylenedioxy groups have a gauche conformation. In the crystal, the molecules form O—H⋯O hydrogen-bonded chains along the a axis.
In the title compound, C12H15NO4, the dihedral angle between the acetamide group and the ring is 29.6 (2)(su?)°. In the crystal molecules are linked through N—H⋯O and O—H⋯O hydrogen bonds, thereby forming corrugated sheets propagating in the ac plane. These sheets are composed of R
4(28) graph-set motifs.
A new polymorph of the title compound, C8H8BrNO, has been determined at 173 K in the space group P21/c. The previous room-temperature structure was reported to crystallize in the orthorhombic space group Pna21 [Andreetti et al. (1968 ▶). Acta Cryst. B24, 1195–1198]. In the crystal, molecules are linked by N—H⋯O hydrogen bonds forming chains along . Weak C—H⋯π interactions are also present.
In the title compound, C16H16O4, the dihedral angle between the benzene rings is 28.9 (2)°. In the crystal, molecules are packed in layers parallel to the b axis in which they are connected via weak intermolecular C—H⋯O contacts. Face-to-face π–π interactions also exist between the benzene rings of adjacent molecules, with centroid–centroid and plane-to-plane shift distances of 3.8597 (14) and 1.843 (2) Å, respectively.
In the title complex, [Co(C7H4ClO2)2(C6H6N2O)2(H2O)2], the CoII cation is located on an inversion center and is coordinated by two 2-chlorobenzoate anions, two nicotinamide (NA) ligands and two water molecules. The four O atoms in the equatorial plane around the CoII cation form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two pyridine N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 29.7 (4)°, while the pyridine and benzene rings are oriented at a dihedral angle of 83.17 (15)°. Intramolecular O—H⋯O hydrogen bonding occurs between the carboxylate group and coordinating water molecule. In the crystal, intermolecular N—H⋯O, O—H⋯O and weak C—H⋯O hydrogen bonds link the molecules into a three-dimensional network.
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 compound, [Mn(C4H3N2O2)2(H2O)2], the MnII ion is located on a twofold rotation axis and displays a distorted octahedral coordination environment, defined by two N,O-bidentate 1H-imidazole-4-carboxylate ligands in the equatorial plane and two water molecules in axial positions. In the crystal, O—H⋯O and N—H⋯O hydrogen bonds link the molecules into a three-dimensional supramolecular network. π–π stacking interactions between the imidazole rings [centroid–centroid distances = 3.5188 (15) and 3.6687 (15) Å] further stabilize the structure.
There are two independent molecules in the asymmetric unit of the title compound, C21H21N5O2. In each molecule, the indolizine ring system is essentially planar, with r.m.s. deviations of 0.030 and 0.028 Å. The dihedral angles between the indolizine ring system and the pyrazole rings are 54.7 (3) and 8.6 (3)° in one molecule and 54.4 (3) and 6.6 (3)° in the other. In the crystal, weak C—H⋯O and C—H⋯N hydrogen bonds link molecules, forming a two-dimensional network parallel to (100).
In the title compound, C14H11N3O5, the dihedral angles between the amide group (r.m.s. deviation = 0.0429 Å) and the two benzene rings are 39.66 (6) and 63.04 (7)°. The dihedral angle between the benzene rings is 86.04 (7)°. The benzene rings form dihedral angles of 4.42 (5) and 8.91 (5)° with the adjacent nitro groups. In the crystal, molecules are linked via a pair of C—H⋯O hydrogen bonds, forming inversion dimers, which are linked via a second pair of C—H⋯O hydrogen bonds, forming chains propagating along .
In the title compound, C21H20ClNO6, the furan moiety is located above the mean plane of the indole ring and displays rotational disorder (i.e. rotation through 180°); the site occupancy of the major component is 0.809 (6). In the crystal, C—H⋯O interactions link the molecules into chains which run parallel to the b axis.
The asymmetric unit of the title complex, [Ir2Cl4(C12H19)2], a versatile starting material for the preparation of uniquely substituted pentaalkylcyclopentadienyl–iridium complexes, consists of an iridium(III) atom, a substituted cyclopentadienyl ligand and two chlorine ligands. The full dimer is generated by an inversion center. In the dimer, the two IrIII atoms and two bridging Cl atoms form a perfectly planar ring. The two IrIII atoms and the two terminal Cl atoms also form a rigorous plane that is orthogonal [89.48 (3)°] to the Ir2Cl2 ring. The plane of the cyclopentadienyl ligand forms a dihedral angle of 54.06 (7)° with respect to the Ir2Cl2 ring.
The non-H atoms in the structure of the title molecule, C7H7N3, are almost coplanar (r.m.s. deviation = 0.018 Å). The two amine groups each donate two and accept one weak N—H⋯N hydrogen bonds. N—H⋯N hydrogen bonding between the amine and nitrile groups results in chains parallel to  in the crystal structure. The chains are cross-linked by N—H⋯N hydrogen bonds between amine groups, giving rise to an infinite three-dimensional network.
The whole of the title molecule, 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).
The title layered polymer, [Co(N3)2(C7H10N2)2]n, contains CoII, azide and 4-(dimethylamino)pyridine (4-DMAP) species with site symmetries m2m, 2 and m, respectively. The Co2+ ion adopts an octahedral coordination geometry in which four N atoms from azide ligands lie in the equatorial plane and two 4-DMAP N atoms occupy the axial positions. The CoII atoms are connected by two bridging azide ligands, resulting in a chain parallel to the c axis.
The asymmetric unit of the title compound, C11H11ClN2, contains two almost-planar independent molecules: the isoindole and dimethylaminomethylene mean planes in the two molecules form dihedral angles of 5.45 (8) and 1.34 (8)°. The crystal packing exhibits no short intermolecular contacts, except for a relatively short Cl⋯Cl distance of 3.4907 (7) Å.
In the title compound, C20H17N3O4, the central pyran ring adopts a boat conformation with the O atom and diagonally opposite C atoms displaced by 0.1171 (1) and 0.1791 (1) Å, respectively, from the mean plane defined by the other four atoms. The coplanar atoms of the pyran ring and the methoxybenzene ring are nearly perpendicular, as evidenced by the dihedral angle 87.01 (1)°. The amine H atom forms an intramolecular N—H⋯O(nitro) hydrogen bond. In the crystal, molecules are linked into dimeric aggregates by N—H⋯O(nitro) hydrogen bonds, generating an R
2(12) graph-set motif.
In the title compound, C18H23NO3, the cyclohexane ring has a chair conformation. The oxirane plane (OCC) makes a dihedral angle of 76.15 (13)° with that of the pyrrolidine ring to which it is fused. The mean plane of the cyclohexane ring and the benzene ring are almost normal to the pyrrolidine ring, with dihedral angles of 88.47 (8) and 77.85 (8)°, respectively. In the crystal, molecules are linked via pairs of N—H⋯O hydrogen bonds, forming inversion dimers. These dimers are linked via pairs of C—H⋯O hydrogen bonds, forming chains along the a-axis direction.
In the title hydrated salt, C19H25N2
+·I−·H2O, the 4-(diethylamino)phenyl unit of the cation is disordered over two positions in a 0.847 (3):0.153 (3) ratio. The cation is twisted, with dihedral angles between the pyridinium and benzene rings of 11.25 (13) and 10.7 (8)° for the major and minor components, respectively. In the crystal, the three components are linked into a centrosymmetric 2:2:2 unit by O—H⋯I and C—H⋯O hydrogen bonds. π–π interactions with centroid–centroid distances of 3.5065 (7)–3.790 (9) Å are also present.
In the title compound, C24H19NOS, the quinoline residue (r.m.s. deviation = 0.018 Å) is essentially orthogonal to both the phenyl [dihedral angle = 88.95 (8)°] and 2-thienyl [81.98 (9)°] rings. The carbonyl O atom lies to one side of the quinoline plane, the carbonyl C atom is almost coplanar and the remaining atoms of the chalcone residue lies to the other side, so that overall the molecule has an L-shape. The conformation about the ethylene bond [1.340 (2) Å] is E. In the crystal, a supramolecular chain with the shape of a square rod aligned along the b-axis direction is sustained by C—H⋯π interactions, the π-systems being the heterocyclic rings.
In the title compound, [Ag(C12H8N2S)2]BF4, the two-coordinate AgI ion lies on a crystallographic inversion center and is linearly bonded to the N-donor atoms of two separate quinoxaline ligands. The thiophenyl ring of the ligand is nearly coplanar with the quinoxaline ring system [dihedral angle = 9.15 (13)°]. In the crystal, the complex molecules pack in layers parallel to (-102) and form weak π–π ring stacking interactions [minimum ring centroid separation = 3.7054 (17) Å]. The tetrafluoridoroborate anion is equally disordered about an inversion center.
In the title compound, C8H6N2O3S, the dihedral angle between the nitro group and the benzene ring is 6.76 (9)°. The bond-angle sum at the S atom is 308.1°. In the crystal, molecules are linked by C—H⋯O hydrogen bonds to generate (010) sheets. The crystal studied was found to be a racemic twin.
The benzimidazolone residue in the title molecule, C10H9N3O3, is almost planar, with the largest deviation from the mean plane being 0.016 (2) Å for the C atom linked to the nitro group. This plane is nearly perpendicular to the 1-allyl chain as indicated by the C—N—C—C torsion angle of 90.9 (3)°. The fused-ring system makes a dihedral angle of 5.6 (3)° with the nitro group, leading to a synperiplanar conformation. In the crystal, zigzag supramolecular chains are formed along the a axis by N—H⋯O hydrogen bonds.
In the title compound, C16H15FN2O, the dihedral angles between the benzene rings are74.7(8), 74.1 (1), 74.2 (7) and 74.3 (5)° in the four independent molecules in the asymmetric unit. In the crystal, N—H—O hydrogen bonds involving the hydrazide and acetyl groups, which form R
2(18) ring motifs, link the molecules into dimers, which form columns along .