In the title compound, C22H17NO3, the molecule has an E conformation about the C=C bond, and the C—C=C—C torsion angle is −177.7 (3)°. The planes of the terminal benzene rings are twisted by 41.62 (16)°, while the biphenyl unit is non-planar, the dihedral angle between the planes of the rings being 38.02 (15)°. The dihedral angle between the nitrophenyl ring and the inner benzene ring is 5.29 (16)°. In the crystal, molecules are linked by two weak C—H⋯π interactions, forming rectangular tubes propagating along the b-axis direction.
crystal structure; chalcones; C—H⋯π interactions
The title compound crystallized with two independent molecules in the asymmetric unit. In the crystal, they are linked to one another, forming chains enclosing (10) and (12) ring motifs.
The title compound, C22H17NO4, crystallizes with two independent molecules (A and B) in the asymmetric unit. Each molecule exists as an E isomer with C—C=C—C torsion angles of −175.69 (17) and −178.41 (17)° in A and B, respectively. In molecule A, the planes of the terminal benzene rings are twisted by an angle of 26.67 (10)°, while the biphenyl unit is non-planar, the dihedral angle between the rings being 30.81 (10)°. The dihedral angle between the nitrophenyl ring and the inner phenyl ring is 6.50 (9)°. The corresponding values in molecule B are 60.61 (9), 31.07 (8) and 31.05 (9)°. In the crystal, molecules are arranged in a head-to-head manner, with the 3-nitrophenyl groups nearly parallel to one another. The A and B molecules are linked to one another via C—H⋯O hydrogen bonds, forming chains lying parallel to (-320) and enclosing R
2(10) and R
2(12) ring motifs. The methoxy group in both molecules is positionally disordered with a refined occupancy ratio of 0.979 (4):0.021 (4) for molecule A and 0.55 (4):0.45 (4) for molecule B.
crystal structure; chalcones; C—H⋯O hydrogen bonding; main-residue disorder
In the title compound, C24H14Cl2N2O2S, the 2H-chromene ring system is approximately planar, with a maximum deviation of 0.025 (2) Å. The thiazole ring is almost planar, with an r.m.s. deviation of 0.0022 Å, and makes a dihedral angle of 58.52 (7)° with the chromene ring system. The chromene ring system is inclined at angles of 58.3 (1) and 55.39 (9)° with respect to the two chlorophenyl rings. The two chlorophenyl rings show significant deviation from coplanarity, with a dihedral angle between them of 47.69 (8)°. The crystal structure features C—H⋯Cl interactions extending in (100) and propagating along the a-axis direction and weak π–π interactions [centroid–centroid separation = 3.867 (2) Å].
crystal structure; 2H-chromen-2-one; bioactivity; hydrogen bonding; π–π interactions
In the title compound, C13H10FNO, the benzene ring planes are inclined at an angle of 50.52 (8)°. A characteristic of aromatic Schiff bases with N-aryl substituents is that the terminal phenyl rings are twisted relative to the plane of the HC=N link between them. In this case, the HC=N unit makes dihedral angles of 10.6 (2) and 40.5 (2)° with the hydroxybenzene and flurobenzene rings, respectively. In the crystal, O—H⋯N and C—H⋯F hydrogen bonds lead to the formation of chains along the c- and b-axis directions, respectively. C—H⋯π contacts link molecules along a and these contacts combine to generate a three-dimensional network with molecules stacked along the b-axis direction.
The title compound, C21H14O3, crystallizes with eight independent molecules (A–H) in the asymmetric unit which are arranged in four groups of two molecules each (AB, CD, EF and GH). In each molecule, the pyran-2-one ring is planar (r.m.s. deviations vary from 0.001 to 0.017 Å), while the pyran ring has a screw-boat conformation. In the crystal, molecules stack in two columns, along the [10-1] direction, composed of molecules C, B, E and G, and D, A, F and H. Molecules A and F are linked via C—H⋯O hydrogen bonds. In addition, there are a number of C—H⋯π contacts present involving all of the molecules. These interactions result in the formation of a three-dimensional network.
In the title molecule, C22H18O, the o-tolyl ring is connected through a conjugated double bond. The molecule adopts an E conformation and the C—C=C—C torsion angle is 178.77 (13)°. The overall conformation may be described by the values of dihedral angles between the different planes. The terminal rings are twisted by an angle of 54.75 (8)°, while the biphenyl part is not planar, the dihedral angle between the planes of the rings being 40.65 (8)°. The dihedral angle between the benzene rings is 14.10 (7)°. There are three weak C—H⋯π interactions found in the crystal structure. No classic hydrogen bonds are observed.
In the title hydrated compound, C15H15N3O3·H2O, the nicotinohydrazide molecule adopts a trans conformation with respect to the C=N double bond. The dihedral angle between the benzene and pyridine rings is 5.10 (14)°. In the crystal, the solvent water molecule acts as an acceptor, forming an N—H⋯O hydrogen bond supported by two C—H⋯O contacts. It also acts as a donor, forming bifurcated O—H⋯(O,O) and O—H⋯N hydrogen bonds that combine with the former contacts to form zigzag chains of molecules along the c-axis direction. An additional O—H⋯O donor contact completes a set of six hydrogen bonds to and from the water molecule and connects it to a third nicotinohydrazide molecule. This latter contact combines with weaker C—H⋯O hydrogen bonds supported by a C—H⋯π contact to stack molecules along b in a three-dimensional network.
In the title compound, [Mg(C3H3N2)4(H2O)2]Cl2, the MgII cation lies on a crystallographic inversion centre and is coordinated by two water molecules and four N-atom donors from monodentate imidazole ligands, giving a slightly distorted octahedral stereochemistry. In the crystal, water O—H⋯Cl and imidazole N—H⋯Cl hydrogen bonds give rise to a three-dimensional structure.
In the title compound, C14H13N3O2·2H2O, the hydrazone molecule adopts an E conformation with respect to the C=N bond. The dihedral angle between the benzene and pyridine rings is 8.55 (10)°. The methylidene–hydrazide [–C(=O)–N–N=C–] fragment is essentially planar, with a maximum deviation of 0.0375 (13) Å. The mean planes of the benzene and pyridine rings make dihedral angles of 2.71 (14) and 11.25 (13)°, respectively, with mean plane of the methylidene-hydrazide fragment. In the crystal, the benzohydrazide and water molecules are linked by N—H⋯O, O—H⋯O and O—H⋯N hydrogen bonds into a three-dimensional network.
In the racemic title compound, C22H21NO3, the nitrogen-containing ring of the pyranoquinoline moiety adopts a slightly distorted half-chair conformation and the oxygen-containing ring adopts a slightly distorted chair conformation. The benzene rings make a dihedral angle of 84.97 (8)°. In the crystal, weak C—H⋯O interactions link the molecules into chains extending along the a-axis direction.
In the title compound, C19H13Br2NO, the dihedral angle between the rings of the biphenyl group is 53.59 (14)°. The ring of the benzamide group is inclined to the phenyl rings of the biphenyl group by 23.87 (15) and 75.89 (15)°. There are no significant intermolecular interactions in the crystal structure.
In the title compound, C20H20N2O2, the quinoline ring system makes dihedral angles of 81.05 (4) and 61.16 (5)° with the mean planes of the benzene and morpholine rings, respectively; the mean planes of the latter two rings make a dihedral angle of 83.59 (4)°. In the crystal, pairs of O—H⋯N hydrogen bonds link neighbouring molecules related by a twofold rotation axis, generating R
In the title compound, C25H17NO4, the indolizine fused naphthaquinone unit is approximately planar [r.m.s deviation = 0.0678 Å] and makes a dihedral angle of 57.82 (5)° with the benzene ring of the methoxybenzene group. The naphthoquinone O atoms deviate, in the same sense, from the mean plane of the fused six-membered rings by 0.2001 (14) and 0.0516 (14) Å. In the crystal there is π–π stacking of inversion-related pairs of molecules [interplanar spacing = 3.514 (2) Å].
In the title compound, C10H10ClNO, the benzoisoxazole ring is almost planar (r.m.s. deviation = 0.0121 Å) and the chloro substituent in the side chain is anticlinal relative to the N—C bond of the isoxazole ring. In the crystal, adjacent molecules are linked via a pair of weak C—H⋯N hydrogen bonds, forming dimers through a cyclic R
The complete molecule of the title compound, C10H4N2S2, is generated by an inversion center situated at the mid-point of the bridging C—C bond. The bithiophene ring system is planar [maximum deviation = 0.003 (2) Å] and the central C—C bond length is 1.450 (2) Å. There are no significant intermolecular interactions in the crystal structure, which is stabilized by van der Waals interactions.
In he title compound, C16H13Br4N, the carbazole skeleton is nearly planar [maximum deviation = 0.026 (4) Å] and makes a dihedral angle of 73.8 (4)° with the butyl chain. The butyl chain adopts a trans conformation. In the crystal, molecules are linked by π–π stacking interactions [centroid–centroid distance = 3.559 (2) Å].
In the title compound, C14H13NO, the two rings show significant deviation from coplanarity, with a dihedral angle between the two planes of 49.40 (5)°. The hydroxy group is involved in an intermolecular O—H⋯N hydrogen bond, forming an extended one-dimensional zigzag chain along (001).
In the title compound, C13H10BrNO, the benzene ring planes are inclined at an angle of 48.85 (17)°, resulting in a nonplanar molecule. A characteristic of aromatic Schiff bases with N-aryl substituents is that the terminal phenyl rings are twisted relative to the HC=N plane. In this case, the HC=N unit makes dihedral angles of 11.1 (4) and 38.5 (3)° with the hydroxybenzene and bromobenzene rings, respectively. In the crystal, the molecules are linked by O—H⋯N hydrogen bonds to form infinite (C8) chains along the b axis.
In the title compound, C23H21N3O, the dihedral angles formed by the mean plane of the triazole ring [maximum deviation = 0.007 (1) Å] and the three phenyl rings are 51.13 (8), 52.84 (8) and 47.04 (8)°. In the crystal, molecules are linked by weak C—H⋯N interactions, forming infinite chains propagating along the b-axis direction.
The title compound, C12H7Br2NO2, a biphenyl derivative, displays a twisted conformation with the two benzene rings making a dihedral angle of 55.34 (14)°. The dihedral angle between the nitro group and its parent benzene ring is 26.8 (2)°. The crystal structure is stabilized by intermolecular C—H⋯Br and C—H⋯O interactions, which lead to the formation of chains propagating along the c-axis direction.
The title compound, C15H12ClNO, is a functionalized 1,2-benzoxazole with a chloro(phenyl)methyl substituent. The molecule is V-shaped, the dihedral angle between the mean plane of the 1,2-benzoxazole system [maximum deviation = 0.023 (3) Å for the N atom] and the phenyl ring being 70.33 (14)°. There are no hydrogen-bonding interactions in the crystal structure, which is stabilized by van der Waals interactions only.
In the title compound C14H17N3O2, the dihedral angle between the rings is 16.68 (13)°. Although the compound crystallizes in the keto form, the possibility of keto-enamine–enol-imine tautomerism is explained by a strong intramolecular N—H⋯O hydrogen bond.