The title compound, C25H19N, adopts an E conformation about the C=N bond. The naphthalene ring system and the phenyl rings form dihedral angles 38.1 (1), 46.9 (8) and 48.5 (1)°, respectively, with the mean plane of the central enimino fragment. The crystal packing exhibits no directional close contacts.
In the title compound, C22H20N2O2S, the molecule adopts a twisted E configuration around the C=N bond. The two phenyl rings are twisted from each other, making a dihedral angle of 78.00 (12)°. The methyl-substituted benzene ring makes dihedral angles of 32.37 (14) and 69.70 (12)° with the two phenyl rings. In the crystal structure, molecules are linked into extended chains along the b axis through intermolecular N—H⋯O hydrogen bonds.
In the title compound, C21H16N2O2, the dihedral angles between the mean planes of the 4-nitrophenyl ring and the two phenyl rings are 57.3 (5) and 16.8 (6)°. The imine group displays a C—C—N—C torsion angle of −24.9 (3)°.
In the title compound, C22H16F3N, the C=N bond of the central imine group adopts an E conformation. The dihedral angles between the 2-(trifluoromethyl)phenyl ring and the benzene rings are 9.34 (1) and 68.8 (1)°. The imine group displays a C—C—N=C torsion angle of 41.6 (3)°. In the crystal, weak C—H⋯F hydrogen bonds link the molecules into chains parallel to the b-axis direction.
The molecular structure of the title compound, C26H18N4O6S·C2H6OS, shows an E conformation of the hydrazone double bond. The presence of a methylene group between the benzo[de]isoquinoline and benzenesulfonyl moieties allows the 4-nitrophenyl ring and the benzo[de]isoquinoline system to be parallel with respect to each other, so that the molecule adopts a U-shaped spatial conformation. The dihedral angle between mean planes of these aromatic groups is 4.4 (1)°. This special arrangement enables neighboring molecules to be intercalated, forming slipped π–π interactions [centroid–centroid distance = 3.535 (2) Å] between the 4-nitrophenyl and benzo[de]isoquinoline groups and point-to-face C—H⋯π interactions between the benzo[de]isoquinoline and benzenesulfonyl aromatic systems. In addition, the crystal packing also features an intermolecular N—H⋯O interaction involving the amine group and the dimethyl sulfoxide solvent molecule.
The complete molecule of the title compound, C42H36N6O2, is generated by a crystallographic twofold axis with two C atoms of the central phenyl group lying on the axis. In the independent part of the molecule, one amino group is involved in an intramolecular N—H⋯O hydrogen bond, and the two adjacent phenyl rings are twisted from the plane of the pyrazolone ring with dihedral angles of 6.82 (3) and 88.32 (6)°. The crystal packing exhibits no classical intermolecular contacts.
The title compound, C18H12N2, adopts an E conformation with the benzylidenemalononitrile and phenyl groups located on opposite sides of the C=C bond. The two phenyl rings are oriented at a dihedral angle of 62.49 (7)°.
The molecule of the title compound, C26H24N4O7S, adopts a trans conformation about the central N—N bond, presumably to minimize steric between the substituents on these two atoms. An intramolecular N—H⋯O hydrogen bond occurs. The phenyl ring is disordered over two sets of sites, with an occupancy ratio of 0.624 (8):0.376 (8). The azolidine ring is essentially planar [maximum deviation = 0.008 (5) Å] and makes a dihedral angle of 4.3 (2)° with the benzene ring and dihedral angles of 74.1 (3) and 69.1 (5)°, respectively, with the mean planes of the major and minor components of the disordered phenyl ring. The packing in the crystal is aided by the formation of several weak C—H⋯O and C—H⋯N interactions.
There are two crystallographically independent molecules in the asymmetric unit of the title compound, C14H11ClN4O4, with the same E conformation about the C=N double bond. The molecules are approximately planar, with a dihedral angle between the benzene rings of 10.24 (12)° in one molecule and 4.73 (12)° in the other. In both molecules, the ortho-nitro groups of the 2,4-dinitrophenyl units are coplanar to their bound benzene rings, whereas the para-nitro groups are slightly twisted. In each molecule, intramolecular N—H⋯O hydrogen bonds generate S(6) ring motifs. In the crystal, molecules are linked by weak C—H⋯O interactions into sheets parallel to the (-102) plane. These sheets are stacked by π–π interactions, with centroid–centroid distances of 3.7008 (14) and 3.7459 (14) Å. A Cl⋯O short contact [3.111 (2) Å] is observed.
The title compound, C16H13NO3, crystallizes with two independent molecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 4-methylphenyl and 3-nitrophenyl groups is 4.0 (3)° in molecule A and 16.2 (7)° in molecule B. Intermolecular C—H⋯O hydrogen bonding involving the O atoms of the 3-nitrophenyl group of both independent molecules link the molecules into layers approximately parallel to the (110) plane. The layers are held together by π–π stacking interactions between the 4-methylphenyl ring of molecule A and the 3-nitrophenyl ring of molecule B of the adjacent layer, with the distance between the centroids of interacting rings being 3.6987 (7) Å.
The zwitterionic title compound, C16H12N2O3, was obtained as a result of the condensation of 5-aminosalicylic acid and 1H-indole-3-carbaldehyde. The whole molecule is roughly planar: the 4-hydroxyanilinic group and the 1H-indole-3-carbaldehyde moieties are only slightly twisted, making a dihedral angle of 7.77 (11)°, whereas, the carboxylate group makes a dihedral angle of 3.34 (45)° with the parent 4-hydroxyanilinic group. S(6) ring motifs are formed due to intramolecular O—H⋯O hydrogen bonding. In the crystal, intermolecular N—H⋯O and C—H⋯O hydrogen bonds build up pseudo-rings with R
1(7) and R
2(14) ring motifs. These pseudo-dimers are further linked by N—H⋯O hydrogen bonds into a chain extending along . C—H⋯π interactions also occur, along with offset π–π interactions between the anilinic phenyl and the heterocyclic five-membered rings with a centroid–centroid distance of 3.5716 (19) Å.
In the title molecule, C25H21N5O3S, the triazole ring forms dihedral angles of 21.4 (2), 61.4 (2) and 102.4 (2)° with the nitrophenyl and two phenyl rings, respectively. In the crystal, weak C—H⋯O hydrogen bonds and π–π interactions between the benzene rings from neighbouring molecules [with a centroid–centroid distance of 3.571 (3) Å] consolidate the crystal packing.
In the title compound, C25H21N5O3S·CH2Cl2, the dichloromethane solvent molecule is disordered over four positions, with an occupancy ratio of 0.271 (3):0.3884 (18):0.298 (2):0.0424 (15). The 1,2,4-triazole ring makes dihedral angles of 47.3 (2)/87.3 (2) and 3.6 (2)° with the phenyl and nitrophenyl rings, respectively. An intramolecular C—H⋯S hydrogen bond results in the formation of an almost planar six-membered ring [r.m.s. derivation = 0.0051 (2) Å]. Intermolecular C—H⋯O hydrogen bonding consolidates the structure.
In the title compound, C19H18N4O4, the nitrophenyl and phenyl rings are twisted by 67.0 (6) and 37.4 (4)°, respectively, with respect to the pyrazole ring plane [maximum deviation = 0.0042 (16) Å]. The dihedral angle between the mean planes of the phenyl rings is 59.3 (3)°. The amide group, with a C—N—C—C torsion angle of 177.54 (13)°, is twisted away from the plane of the pyrazole ring in an antiperiplanar conformation. In the crystal, N—H⋯O hydrogen bonds involving the carbonyl group on the pyrazole ring and the amide group, together with weak C—H⋯O interactions forming R
2(10) graph-set motifs, link the molecules into chains along . Additional weak C—H⋯O interactions involving the nitrophenyl rings further link the molecules along , also forming R
2(10) graph-set motifs, thereby generating (010) layers.
The title compound, 2C17H13F3N3O+·SO4
2−·2H2O, crystallizes with four independent cations (A, B, C and D) in the asymmetric unit, which is composed of two groups of two cations, one anion and two water molecules (Z′ = 2). The dihedral angle between the mean planes of the 4-hydroxyphenyl and quinolinium groups is 8.9 (7)° in A, 30.1 (6)° in B, 28.8 (8)° in C and 12.8 (1)° in D. The crystal packing is stabilized by intermolecular O—H⋯O and N—H⋯O hydrogen bonding between H atoms from 4-hydroxyphenyl O atoms and the O atoms of nearby water molecules and sulfate anions, as well as H atoms from the N atom of the hydrazino group to O atoms of neighboring sulfate anions, linking the components into chains with the 4-hydroxyphenyl and quinolinium rings parallel to the (011) plane. There is also an extensive array of intermolecular hydrogen bonds between water molecules themselves and with sulfate O atoms, as well as hydrogen-bond interactions between H atoms from the hydrazino group and sulfate O atoms. In addition, intermolecular π–π stacking interactions occur between nearby 4-hydroxyphenyl and quinolinium groups, with distances between the centroids of interacting rings in the range 3.4140 (9)–3.9659 (9) Å.
There are two crystallographically independent molecules (A and B) in the asymmetric unit of the title compound, C25H22N4O2S, with almost identical molecular conformations. The hydroxyphenyl ring plane and the 1,2,4-triazole ring form dihedral angles of 17.1 (2) and 7.4 (2)° in A and B, respectively. The dihedral angles between 1,2,4-triazole ring and the other two phenyl rings are 89.6 (3) and 83.3 (2)° in molecule A, and 89.2 (3) and 82.2 (2)° in molecule B. One intramolecular O—H⋯N hydrogen bond is present in each molecule. Weak intermolecular C—H⋯O hydrogen bonds consolidate the crystal packing.
The title compound, C15H16F3NO4, is an N-substituted derivative of ortho-trifluoromethylaniline featuring a twofold Michael system. The least-squares planes defined by the atoms of the phenyl ring and the atoms of the Michael system enclose an angle of 15.52 (5)°. Apart from classical intramolecular N—H⋯O and N—H⋯F hydrogen bonds, intermolecular C—H⋯O contacts are observed, the latter connecting the molecules into chains along . The shortest intercentroid distance between two aromatic systems is 3.6875 (9) Å.
The title compound, C15H13N3O2S2, was obtained from a condensation reaction of benzyl dithiocarbazate and 2-nitrobenzaldehyde. In the molecule, the nearly planar dithiocarbazate fragment [r.m.s deviation = 0.0264 Å] is oriented at dihedral angles of 7.25 (17) and 74.09 (9)°with respect to the two benzene rings. The nitro group is twisted by a dihedral angle of 22.4 (7)° to the attached benzene ring. The nitrobenzene ring and dithiocarbazate fragment are located on the opposite sides of the C=N bond, showing an E configuration. In the crystal, molecules are linked via intermolecular N—H⋯S hydrogen bonds, forming centrosymmetric supramolecular dimers. Weak C—H⋯π interaction is also observed in the crystal structure.
The title compound, C18H13ClN6O2S, exists in trans and cis configurations with respect to the acyclic C=N bonds [C=N = 1.2837 (15) and 1.3000 (14) Å, respectively]. The 3,6-dihydro-2H-1,3,4-thiadiazine ring adopts a half-boat conformation. The sydnone ring is approximately planar [maximum deviation = 0.002 (1) Å] and forms dihedral angles of 50.45 (7) and 61.21 (6)° with the aromatic rings. In the crystal, intermolecular N—H⋯N, C—H⋯Cl and C—H⋯S hydrogen bonds link the molecules into layers parallel to ab plane. The crystal packing is stabilized by C—H⋯π interactions and further consolidated by π–π interactions involving the phenyl rings [centroid–centroid distance = 3.6306 (7) Å].
In the title compound, C17H19N5O5, obtained from the condensation reaction of 4-diethylamino-2-hydroxybenzaldehyde and 2,4-dinitrophenylhydrazine, the two benzene rings are twisted by a dihedral angle of 1.75 (12)°. The nitro groups are slightly twisted with the respect to the benzene ring to which they are attached, making dihedral angles of 8.20 (15) and 5.78 (15)°. An intramolecular O—H⋯N hydrogen bond occurs. In the crystal, molecules are linked by pairs of intermolecular N—H⋯O hydrogen bonds, forming dimers through R
2(12) rings. These dimers are further linked by C—H⋯O and C—H⋯π and weak slipped π–π interactions [centroid–centroid distance = 3.743 (2)Å]. One of the ethyl groups is disordered over two positions, with occupancy factors in the ratio 0.72:0.28.
In the title triangulo-triruthenium compound, [Ru3(C25H22As2)(C18H33P)(CO)9], the bis(diphenylarsino)methane ligand bridges an Ru—Ru bond and the monodentate phosphine ligand bonds to the third Ru atom. Both the phosphine and arsine ligands are equatorial with respect to the Ru3 triangle. In addition, each Ru atom carries one equatorial and two axial terminal carbonyl ligands. All three cyclohexane rings are disordered over two positions with site occupancies of 0.628 (6) and 0.372 (6). The mean planes of these three phosphine-substituted cyclohexane rings make dihedral angles of 53.0 (8), 68.3 (6) and 89.9 (7)° (major components), and 46.7 (14), 41.3 (11) and 75.8 (10)° (minor components) with each other. The dihedral angles between the two phenyl rings are 85.0 (2) and 88.1 (2)° for the two diphenylarsino groups. Two cyclohexane rings adopt a chair conformation whereas the other adopts a slightly twisted chair conformation for the major components; these conformations are similiar for the minor components. Intramolecular C—H⋯O hydrogen bonds stabilize the molecular structure. In the crystal packing, the molecules are linked together into chains via intermolecular C—H⋯O hydrogen bonds down the a axis. Weak intermolecular C—H⋯π interactions further stabilize the crystal structure.
The configuration about each C=N bond in the title compound, C22H20N4O3S, is E. While to a first approximation the phenylhydrazin-1-ylidene and benzohydrazide residues are coplanar, in part due to the presence of an intramolecular N—H⋯N hydrogen bond, significant twists are evident in the orientations of the hydrazine [N—N—C—C torsion angle = −170.74 (11)°] and benzoyl benzene [N—C—C—C = −21.72 (18)°] rings. The sulfonyl benzene ring occupies a position almost normal to the rest of the molecule [C—S—C—N = −92.28 (10)°]. Centrosymmetric aggregates mediated by pairs of hydrazide–sulfonyl N—H⋯O hydrogen bonds are the predominant packing motif in the crystal. These are connected into linear supramolecular chains via C—H⋯O interactions which are, in turn, linked into layers in the ac plane via C—H⋯π interactions. Connections between layers along the b-axis direction are of the π–π type and occur between centrosymmetrically related hydrazine-bound benzene rings [centroid–centroid separation = 3.7425 (9) Å].
In the title compound, C15H15N5O2S2, the phenyl rings make dihedral angles of 4.03 (4) and 9.77 (5)° with the plane defined by the central N—N—C—N—N atoms (r.m.s. deviation = 0.010 Å). The C—S—C—C torsion angles of the methylsulfanyl groups with their respective phenyl rings are −7.47 (13) and −72.07 (13)°. The shortest centroid–centroid distance of 3.707 Å occurs between the two π-systems N—N—C—N—N and the benzene ring in the diazene 1-position. The H atom bound to the N atom is involved in intramolecular N—H⋯N and N—H⋯S contacts, while the nitro O atoms are involved in intermolecular C—H⋯O contacts.
The title compound, C13H12N2OS, was obtained from the condensation reaction of 2-acetylthiophene and benzohydrazide. In the molecule, the formohydrazide fragment is approximately planar (r.m.s deviation = 0.0146 Å) and the mean plane is oriented at dihedral angles of 24.47 (11) and 28.86 (13)°, respectively, to the phenyl and thiophene rings. The thiophene and phenyl rings make a dihedral angle of 53.21 (8)°. The benzamide fragment and thiophene ring are located on the opposite sides of the C=N bond, showing an E conformation. Classical intermolecular N—H⋯O hydrogen bonds and weak C—H⋯O interactions are present in the crystal structure: three such bonds occur to the same O-atom acceptor.
The title compound, C26H18N4O5, can be regarded as an extended ether with two terminal nitro groups. The two aryl rings bonded to the central O atom form a dihedral angle of 75.72 (6)°, and the terminal nitro groups are slightly twisted [by 6.4 (2) and 3.3 (3)°] from the benzene rings to which they are attached. The crystal packing exhibits weak intermolecular C—H⋯O hydrogen bonds and π–π interactions [centroid–centroid distances = 3.794 (3) Å].