In the title molecule, C17H15N3S, the phenyl group makes a dihedral angle of 57.29 (11)° with the mean plane of the triazole ring, which in turn makes an angle of 86.83 (12)° with the plane of the aromatic portion of the tetrahydronaphthalene moiety. In the crystal, molecules are linked by weak C—H⋯S hydrogen bonds into supramolecular chains propagating along the a-axis direction. Weak C—H⋯π interactions are also observed.
In the title compound, C20H18BrN3S, the cyclopentane ring adopts a half-chair conformation. The 4-bromophenyl and phenyl rings make dihedral angles of 34.6 (1) and 68.52 (6)°, respectively, with the dihydrothiazole ring. In the crystal, the molecules pack in sheets approximately parallel to (101) which are formed by weak C—H⋯Br interactions
The title compound, [Cd2Cl4(C18H14N4O)2], was obtained from the reaction of Cd(NO3)2·4H2O with 2-phenylpyridineketon picolinoyl hydrazone and sodium chloride. Each Cd2+ cation is coordinated by two N atoms and one O atom of the tridentate ligand and three chloride anions, forming a distorted CdNOCl3 octahedron. Each pair of adjacent metal cations is linked by two bridging chloride ligands, resulting in a dinuclear complex unit. The molecular conformation is stabilized by intramolecular N—H⋯N and C—H⋯O hydrogen bonds. In the crystal, molecules are linked by nonclassical C—H⋯O and C—H⋯Cl hydrogen bonds into a three-dimensional network. In addition, π–π stacking interactions [centroid–centroid distances = 3.777 (2) and 3.631 (2) Å] contribute to the stabilization of the crystal packing.
In the title compound, C33H27BrClNO4, the dihydropyridine ring adopts a flattened boat conformation. The molecular conformation is stabilized by an intramolecular O—H⋯O hydrogen bond, with an S(8) ring motif. In the crystal, O—H⋯O, C—H⋯O and C—H⋯Cl hydrogen bonds, and C—H⋯π interactions link the molecules, forming a three-dimensional network. In the acridinedione ring system, the two ring C atoms at the 2- and 3-positions, and the C atom at the 6-position and the atoms of the phenyl ring attached to the C atom at the 6-position are disordered over two sets of sites with occupancy ratios of 0.783 (5):0.217 (5) and 0.526 (18):0.474 (18), respectively.
In the title compound, C14H17N3S, the plane of the phenyl ring makes a dihedral angle of 74.90 (4)° with that of the triazathione ring (r.m.s. deviation = 0.001 Å), while the seven-membered ring adopts a twist-chair conformation. No specific intermolecular interactions are discerned in the crystal packing.
The title compound, C21H17N3O3, is a new polymorph of an already published structure [Shashidhar et al. (2006 ▶). Acta Cryst. E62, o4473–o4475]. The previously reported structure crystallizes in the monoclinic space group C2/c, whereas the structure reported here is in the tetragonal space group I41/a. The bond lengths and angles are similar in both structures. The molecule adopts an extended conformation via intramolecular N—H⋯O and O—H⋯N hydrogen bonds; the terminal phenyl ring and the hydroxylphenyl ring are twisted with respect to the central benzene ring by 44.43 (7) and 21.99 (8)°, respectively. In the crystal, molecules are linked by N—H⋯O hydrogen bonds, weak C—H⋯O hydrogen bonds and weak C—H⋯π interactions into a three-dimensional supramolecular network.
In the title compound, C23H20N3OS+·Br−, the dihydrothiazole ring (r.m.s. deviation = 0.015 Å) is twisted with respect to each of the C- and N-bound phenyl rings and the hydroxybenzene ring, making dihedral angles of 76.0 (2), 71.2 (2) and 9.8 (2)°, respectively. In the crystal, inversion-related molecules are linked by association of the bromide ions with the cations via N—H⋯Br and O—H⋯Br hydrogen-bonding interactions. These molecules run in channels parallel to the a axis through face-to-face π–π stacking interactions between the hydroxybenzene rings [centroid–centroid distances = 3.785 (3) Å] which, in turn, are connected into layers parallel to (110) by weak C—H⋯π interactions. A small region of electron density well removed from the main molecule and appearing disordered over a center of symmetry was removed with PLATON SQUEEZE [Spek (2009 ▶). Acta Cryst. D65, 148–15] following unsuccessful attempts to model it as plausible solvent molecule. The nature of the solvent was not known and hence, this is not taken into account when calculating M
r and related data.
In the title compound, C21H19ClN2O2, the benzene ring and the naphthalene ring system are oriented at a dihedral angle of 65.24 (10)°. In the crystal, N—H⋯O, C—H⋯N and C—H⋯O hydrogen bonds link the molecules, forming chains along the b-axis direction. Further C—H⋯O hydrogen bonds link the chains, forming corrugated sheets lying parallel to (10-1).
The title compound, C14H10Cl2N2O·H2O, has a nearly planar extended conformation [C—N—N—C = −173.66 (15)°]. The dihedral angle between the aromatic rings is 4.6 (2)°. The water molecules alternate with benzohydrazide molecules in chains formed by O—H⋯O hydrogen bonds which run parallel to the a axis. These chains are linked to neighboring chains through N—H⋯O and C—H⋯O interactions, forming a layer parallel to (001).
The sample of the title compound, C12H15N3S, chosen for study consisted of triclinic crystals twinned by a 180° rotation about the a axis. The five-membered ring adopts a twisted conformation. The dihedral angle between the phenyl ring and the mean plane of the thiourea unit is 78.22 (8)°. In the crystal, molecules are linked via pairs of N—H⋯S hydrogen bonds forming inversion dimers.
In the title compound, C22H19N4S+·Br−·H2O, the dihedral angles between the phenyl groups and the mean plane of the thiazolylidene ring are 34.69 (13) and 64.27 (13)°, respectively, while that between the thiazolylidene and pyridinium rings is 14.73 (13)°. In the crystal, zigzag chains of alternating bromide ions and water molecules associate through O—H⋯Br interactions run in channels approximately parallel to the b axis. These chains help form parallel chains of cations through N—H⋯O, C—H⋯N and C—H⋯Br hydrogen bonds.
In the title compound, C12H13N3S, the 4,5-dihydro-3H-1,2,4-triazole system is nearly planar [maximum deviation = 0.014 (2) Å], while the cyclopentane ring adopts a half-chair conformation. The dihedral angle between the mean plane of the 4,5-dihydro-3H-1,2,4-triazole-3-thione ring and the phenyl ring is 85.49 (14)°, with the S atom 0.046 (1) Å out of the former plane. The crystal structure is stabilized only by van der Waals interactions. The investigated crystal was found to be a non-merohedral two-component twin by a 180° rotation about c*, with a refined value of the minor twin fraction of 0.12203 (18).
In the title compound, C22H19N3O3S, the six-membered ring of the 1,2,3,4-tetrahydronaphthalene ring system adopts an envelope conformation with the central CH2 C atom as the flap. The molecular conformation is stabilized by an S⋯O contact, forming a pseudo-five-membered ring. In the crystal, molecules are linked via C—H⋯O hydrogen bonds into chains propagating along .
The β-lactam (azetidin-2-one) ring of the title compound, C28H27N3O5, is nearly planar [maximum deviation = 0.010 (1) Å] and makes dihedral angles of 75.77 (5), 52.78 (9) and 88.72 (5)°, respectively, with the benzene ring, the least-squares plane formed by the four C atoms of the morpholine ring, which adopts a chair conformation, and the xanthene ring system. In the crystal, C—H⋯O hydrogen-bond contacts connect neighbouring molecules into infinite zigzag chains running parallel to the b axis.
In the title compound, C17H17N3O3S, the thiazole ring is nearly planar [maximum deviation = 0.015 (1) Å for the ring N atom] and the cyclopentane ring has a twist conformation. The molecular conformation is stabilized by a hypervalent interaction between the S atom and the ester group carbonyl O atom, with an S⋯O distance of 2.7931 (10) Å. In the crystal, C—H⋯O interactions generate chains of molecules propagating along  and π–π stacking interactions [centroid–centroid distance = 3.4677 (7) Å] between the thiazole rings organize these chains into (001) layers.
In the title molecule, C18H22N2O2, the furan and benzene rings form a dihedral angle of 70.17 (14)°. In the crystal, strong N—H⋯O and weak C—H⋯O hydrogen bonds link the molecules into chains running parallel to .
In the title compound, C14H19N3S, the seven-membered cycloheptane ring adopts a chair conformation. An intramolecular N—H⋯N hydrogen bond [graph-set motif S(5)] is present in the N—N—C—N chain between the ring systems. An intramolecular C—H⋯S contact also occurs. In the crystal, pairs of molecules form centrosymmetric dimers through N—H⋯S hydrogen bonds [graph-set R
2(8)]. These dimers are connected by C—H⋯S interactions with an R
In the title hydrated molecular salt, C22H18BrN4S+·Br−·H2O, the aromatic rings make dihedral angles of 14.20 (12), 34.29 (10) and 68.75 (11)° with the thiazole ring. In the crystal, molecules are linked into chains running parallel to the a axis by association of the bromide ions and the water molecules of crystallization with the cations via N—H⋯O, O—H⋯Br, C—H⋯N and C—H⋯Br hydrogen-bonding interactions. C—H⋯π and C—Br⋯π [3.7426 (11) Å, 161.73 (7)°] interactions are also observed, forming infinite chains extending along the b-axis direction.
The asymmetric unit of the title salt, 2C17H21N2O2S+·C14H14O7P2
2−, contains half of a centrosymmetric bis(4-methoxyphenyl)diphosphonate anion and one 2-amino-5-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium cation. In the anion, the O atoms of the diphosphonate group are disordered over two positions with equal occupancies. In the cation, the ethyl group is disordered over two orientations with a refined occupancy ratio of 0.753 (5):0.247 (5), and the tetrahydropyridinium ring adopts a distorted half-chair conformation. In the crystal, the ions are linked by C—H⋯O, N—H⋯O and C—H⋯S hydrogen bonds into a three-dimensional network.
The asymmetric unit of the title compound, C17H21N5O2, contains two crystallographically independent molecules, which are linked by a C—H⋯N hydrogen bond. The morpholine rings of both molecules adopt distorted chair conformations. The dihedral angles between the triazole and benzene rings are 12.8 (3)° in the first independent molecule in which the –N=C– group between the morpholine and benzene rings is disordered [site-occupancy ratio = 0.576 (7):0.424 (7)] and 88.1 (2)° in the second independent molecule. In the crystal, molecules are linked by C—H⋯N hydrogen bonds along the  direction. In addition, one weak C—H⋯π interaction and two weak π–π stacking interactions [centroid–centroid distances = 3.840 (3) and 3.823 (2) Å] between the triazole rings of adjacent molecules are observed. The atoms of the terminal propenyl groups in both molecules are disordered over two sets of sites [site-occupancy ratios = 0.691 (10):0.309 (10) and 0.705 (15):0.295 (15)].
The triazole ring of the title compound, C20H20N4O, is normal to the central benzene ring, making a dihedral angle of 90.0 (3)°, and forms a dihedral angle of 69.2 (3)° with the terminal phenyl ring. The dihedral angle between the phenyl and benzene rings is 88.2 (3)°. The atoms of the terminal propenyl group are disordered over two sets of sites, with a site-occupancy ratio of 0.663 (13):0.337 (13). In the crystal, C—H⋯N contacts lead to the formation of a layer structure extending parallel to (011). Two weak C—H⋯π interactions are also observed.
In the title compound, C15H10ClN3O2, the benzene ring is slightly twisted out of the plane of the 2,3-dihydro-1H-indole ring system (r.m.s. deviation = 0.007 Å), forming a dihedral angle of 7.4 (3)°. An intramolecular N—H⋯O hydrogen bond forms a six-membered ring. In the crystal, molecules are linked via N—H⋯O and C—H⋯O hydrogen bonds, forming layers alternately perpendicular to  and [0-11].
The molecular conformation of title compound, C12H11N3S, is almost planar [maximum deviation = 0.063 (2) Å]; an intramolecular C—H⋯N hydrogen bond is noted. In the crystal, molecules interact with each other via π–π stacking interactions between thiazole rings [centroid–centroid distance = 3.7475 (9) Å] and methyl-H⋯π(C6) interactions, forming columns along the a axis.
In the title compound, C13H13NO3S, the dihedral angle between the benzene rings is 64.15 (7)° and the C—S—N—C torsion angle is −57.18 (12)°. An intramolecular N—H⋯O hydrogen bond closes an S(5) ring. In the crystal, O—H⋯O hydrogen bonds link the molecules into C(8) chains propagating in . Weak C—H⋯π interactions are also observed.
The tricyclic aromatic ring system of the title compound, C15H9Cl2N, is essentially planar (r.m.s. deviation = 0.002 Å). The two Cl atoms lie slightly out of the plane of the carbazole ring system, with the C—Cl bonds forming angles of 1.23 (8) and 1.14 (8)° with the plane. The acetylene group has a syn orientation with respect to the ring system. In the crystal, no weak hydrogen bonds nor any π–π stacking interactions are observed.