In the title compound, C10H13N3OS, the azomethine C=N double bond has an E configuration. The phenyl ring and methyl-hydrazine carbo-thio-amide moiety [maximum deviation = 0.008 (2) Å] are twisted slightly with a dihedral angle of 14.88 (10)°. In the crystal, mol-ecules are linked into sheets parallel to the ab plane via N-H⋯S hydrogen bonds and C-H⋯π inter-actions.
The asymmetric unit of the title compound, C15H21N3OS, comprises of two crystallographically independent mol-ecules (A and B). Each mol-ecule consists of a cyclo-hexane ring and a 2-hy-droxy-3-methyl-benzyl-idene ring bridged by a hydrazinecarbo-thio-amine unit. Both mol-ecules exhibit an E configuration with respect to the azomethine C=N bond. There is an intra-molecular O-H⋯N hydrogen bond in each mol-ecule forming an S(6) ring motif. The cyclo-hexane ring in each mol-ecule has a chair conformation. The benzene ring is inclined to the mean plane of the cyclo-hexane ring by 47.75 (9)° in mol-ecule A and 66.99 (9)° in mol-ecule B. The mean plane of the cyclo-hexane ring is inclined to the mean plane of the thio-urea moiety [N-C(=S)-N] by 55.69 (9) and 58.50 (8)° in mol-ecules A and B, respectively. In the crystal, the A and B mol-ecules are linked by N-H⋯S hydrogen bonds, forming 'dimers'. The A mol-ecules are further linked by a C-H⋯π inter-action, hence linking the A-B units to form ribbons propagating along the b-axis direction. The conformation of a number of related cyclo-hexa-nehydrazinecarbo-thio-amides are compared to that of the title compound.
The PtII atom in the title complex, [Pt(C15H18N4O4S)(C2H6OS)], exists within a square-planar NS2O donor set provided by the N, S, O atoms of the di-anionic tridentate thio-semicarbazo ligand and a dimethyl sulfoxide S atom. The two chelate rings are coplanar, subtending a dihedral angle of 1.51 (7)°. The maximum deviation from an ideal square-planar geometry is seen in the five-membered chelate ring with an S-Pt-S bite angle of 96.45 (2)°. In the crystal, mol-ecules are linked via N-H⋯O, C-H⋯O, C-H⋯N and C-H⋯π inter-actions into two-dimensional networks lying parallel to the ab plane. The conformations of related cyclo-hexyl-hydrazine-1-carbo-thio-amide ligands are compared to that of the title compound.
In the title compound, C(19)H(29)NO, the C-C and C-N bond distances of the benzonitrile group are 1.445 (2) and 1.157 (2) Å, respectively. The aliphatic fragment adopts a bent zigzag arangement which differs from the planar zigzag arrangement normally observed in n-alkanes or long-chain alkyl-benzenes. In the crystal, inversion dimers linked by pairs of C-H⋯O hydrogen bonds occur. A C-H⋯N inter-action also occurs. In the crystal, mol-ecules are packed with the nitrile and aliphatic groups oriented in a head-to-tail fashion involving, forming a ripple-like motif along the a axis.
In the title compound, C(13)H(19)NO(2), the dihedral angle between the benzene ring and the plane throught the non-H atoms of the amide group is 29.3 (1)°. The benzene ring and the alkane carbon skeleton plane are twisted slightly with respect to each other [5.40 (5)°]. In the crystal, mol-ecules are oriented with the amide groups head-to-head, forming N-H⋯O hydrogen-bonded dimers. The dimers are connected by further N-H⋯O hydrogen bonds into a ladder-like motif along the b axis.
The complete mol-ecule of the title hydrazine carbodi-thio-ate derivative, C32H30N4O2S4, is generated by a crystallographic twofold axis that bis-ects the di-sulfide bond. The mol-ecule is twisted about this bond with the C-S-S-C torsion angle of 90.70 (8)° indicating an orthogonal relationship between the symmetry-related halves of the mol-ecule. The conformation about the imine bond [1.282 (2) Å] is E and there is limited delocalization of π-electron density over the CN2C residue as there is a twist about the N-N bond [C-N-N-C torsion angle = -166.57 (15)°]. An intra-molecular hydroxyl-O-H⋯N(imine) hydrogen bond closes an S(6) loop. In the crystal, methyl-ene-C-H⋯π(tol-yl) contacts assemble mol-ecules into a supra-molecular layer propagating in the ab plane: the layers stack without directional inter-actions between them. The analysis of the calculated Hirshfeld surfaces confirm the importance of H⋯H contacts, which contribute 46.7% of all contacts followed by H⋯C/C⋯H contacts [25.5%] reflecting, in part, the C-H⋯π(tol-yl) contacts. The calculation of the inter-action energies confirm the importance of the dispersion term and the influence of the stabilizing H⋯H contacts in the inter-layer region.
The title compound, C28H24N2O3, is a flexible Schiff base, having a dihedral angle of 59.53 (5)° between the mean planes of two phenyl rings bounded in the centre by a single O atom. The dihedral angles between the mean planes of the phenyl rings bonded to the central O atom and the mean planes of the terminal methyl-phenol rings are 31.47 (6) and 36.03 (5)°, respectively. The sp2-hybridized character of the azanylylidene groups is confirmed by their bond lengths and bond angles. In the crystal, mol-ecules are linked into centrosymmetric dimers by weak C-H⋯N inter-actions and connected into dimeric chains through weak C-H⋯O inter-actions. These chains are inter-connected into a two-dimensional network parallel to (1[Formula: see text]1) via weak C-H⋯π inter-actions.
The CoII atom in the title complex, [Co(SO4)(C12H8N2)(H2O)3] (or C12H14CoN2O7S), is octa-hedrally coordinated within a cis-N2O4 donor set defined by the chelating N-donors of the 1,10-phenanthroline ligand, sulfate-O and three aqua-O atoms, the latter occupying an octa-hedral face. In the crystal, supra-molecular layers lying parallel to (110) are sustained by aqua-O-H⋯O(sulfate) hydrogen bonding. The layers stack along the c-axis direction with the closest directional inter-action between them being a weak phenanthroline-C-H⋯O(sulfate) contact. There are four significant types of contact contributing to the calculated Hirshfeld surface: at 44.5%, the major contribution comes from O-H⋯O contacts followed by H⋯H (28.6%), H⋯C/C⋯H (19.5%) and C⋯C (5.7%) contacts. The dominance of the electrostatic potential force in the mol-ecular packing is also evident in the calculated energy frameworks. The title complex is isostructural with its manganese, zinc and cadmium containing analogues and isomeric with its mer-tri-aqua analogue.
In the title compound, C18H27N3OS, the cyclo-hexane ring has a chair conformation. The azomethine C=N double bond has an E configuration. The nearly planar hydrazinecarbo-thio-amide moiety and substituted benzene ring are twisted by 31.13 (5)° relative to each other. The amide moiety and the cyclo-hexane ring are almost perpendicular to each other; a similar conformation was previously observed in reported structures. In the crystal, mol-ecules are linked by N-H⋯S hydrogen bonds, forming inversion dimers with an R 2 2(8) ring motif.
The title compound, C20H20N4O3, is constructed about a tri-substituted 1,2,3-triazole ring, with the substituent at one C atom flanked by the C and N atoms being a substituted amide group, and with the adjacent C and N atoms bearing phenyl and benzyl groups, respectively; the dihedral angle between the pendant phenyl rings is 81.17 (12)°, indicative of an almost orthogonal disposition. In the crystal, pairwise amide-N-H⋯O(carbon-yl) hydrogen bonds lead to a centrosymmetric dimer incorporating methyl-ene-C-H⋯π(benzene) inter-actions. The dimers are linked into a supra-molecular layer in the ab plane via methyl-ene-C-H⋯N(azo) and benzene-C-H⋯O(amide) inter-actions; the layers stack along the c-axis direction without directional inter-actions between them. The above-mentioned inter-molecular contacts are apparent in the analysis of the calculated Hirshfeld surface, which also provides evidence for short inter-layer H⋯C contacts with a significant dispersion energy contribution.
The title phosphanegold(I) thiol-ate, C26H22AuFNOPS or [Au(C8H7FNOS)(C18H15P)], has the AuI centre coordinated by phosphane-P [2.2494 (8) Å] and thiol-ate-S [2.3007 (8) Å] atoms to define a close to linear geometry [P-Au-S = 176.10 (3)°]. The thiol-ate ligand is orientated so that the meth-oxy-O atom is directed towards the Au atom, forming an Au⋯O close contact of 2.986 (2) Å. In the crystal, a variety of inter-molecular contacts are discerned with fluoro-benzene-C-H⋯O(meth-oxy) and phenyl-C-H⋯F inter-actions leading to dimeric aggregates. These are assembled into a three-dimensional architecture by phenyl-C-H⋯S(thiol-ate) and phenyl-C-H⋯π(fluorobenzene, phen-yl) inter-actions. Accordingly, the analysis of the calculated Hirshfeld surface shows 30.8% of all contacts are of the type C⋯H/H⋯C but this is less than the H⋯H contacts, at 44.9%. Other significant contributions to the surface come from H⋯F/F⋯H [8.1%], H⋯S/S⋯H [6.9%] and H⋯O/O⋯H [3.2%] contacts. Two major stabilization energies have contributions from the phenyl-C-H⋯π(fluoro-benzene) and fluoro-benzene-C-H⋯C(imine) inter-actions (-37.2 kcal mol-1), and from the fluoro-benzene-C-H⋯F and phenyl-C-H⋯O inter-actions (-34.9 kcal mol-1), the latter leading to the dimeric aggregate.
The title dammarane triterpenoid, C(30)H(50)O(4), assigned the name chrysura, was isolated from an ethyl acetate extract of Walsura chrysogyne leaves (Meliaceae). It has 20S*,24S* relative stereochemistry and an oxepanone ring with two methyl groups at position 4. The two cyclo-hexane rings adopt chair conformations. The cyclo-pentane and tetra-hydro-furan rings have envelope conformations; their mean planes make a dihedral angle of 13.1 (3)°, indicating that the rings are only slightly tilted with respect to each other. There is an intra-molecular C-H⋯O hydrogen bond in the mol-ecule, which forms S(6) and S(7) ring motifs. In the crystal, mol-ecules are linked via O-H⋯O and C-H⋯O hydrogen bonds, forming chains propagating along [001] which stack along the b-axis direction.
The asymmetric unit of the title compound, C17H18O3, comprises three independent mol-ecules with similar geometries. In each mol-ecule, the carbonyl group is twisted away from the napthalene ring system, making dihedral angles of 1.0 (2), 1.05 (19)° and 1.5 (2)°. The butene group in all three mol-ecules are disordered over two sets of sites, with a refined occupancy ratio of 0.664 (6):0.336 (6). In the crystal, mol-ecules are oriented with respect to their carbonyl groups, forming head-to-head dimers via O-H⋯O hydrogen bonds. Adjacent dimers are further inter-connected by C-H⋯O hydrogen bonds into chains along the a-axis direction. The crystal structure is further stabilized by weak C-H⋯π inter-actions.
In the title compound, C24H23NO2, a whole mol-ecule is disordered over two sets of sites with occupancies in a ratio of 0.692 (6):0.308 (6). In the major disorder component, the naphthalene ring system forms a dihedral angle of 68.6 (5)° with the benzene ring. The corresponding angle in the minor component is 81.6 (10)°. In the crystal, mol-ecules are linked into chains propagating along the b-axis direction via weak C-H⋯O hydrogen bonds. The crystal packing is further consolidated by weak C-H⋯π inter-actions.
The title compound, C(17)H(16)N(2)O(3), has an E conformation about the azobenzene (-N=N-) linkage. The benzene rings are twisted slightly with respect to each other [6.79 (9)°], while the dihedral angle between the plane through the carb-oxy group and the attached benzene ring is 3.2 (2)°. In the crystal, mol-ecules are oriented with the carb-oxy groups head-to-head, forming O-H⋯O hydrogen-bonded inversion dimers. These dimers are connected by C-H⋯O hydrogen-bonds into layers lying parallel to the (013) plane.
THE TITLE COMPOUND [SYSTEMATIC NAME: 5,10-di-hy-droxy-2,2-di-methyl-12-(2-methyl-but-3-en-2-yl)-pyrano[3,2-b]xanthen-6(2H)-one], C(23)H(22)O(5), isolated from the stem bark of Calophyllum soulattri, consists of four six-membered rings and a 2-methyl-but-3-en-2-yl side chain. The tricyclic xanthone ring system is almost planar [maximum deviation = 0.093 (2) Å], whereas the pyran-oid ring is in a distorted boat conformation. The 2-methyl-but-3-en-2-yl side chain is in a synperiplanar conformation. There are two intra-molecular O-H⋯O hydrogen bonds. In the crystal, mol-ecules are linked by C-H⋯O inter-actions, forming a zigzag chain propagating in [010].
The title compound (trivial name α-mangostin), C(24)H(26)O(6), isolated from Cratoxylum glaucum, is characterized by a xanthone skeleton of three fused six-membered rings and two 3-methyl-but-2-enyl side chains. The three rings in the structure are nearly coplanar, with an r.m.s. deviation for the tricyclic ring system of 0.0014 Å. The two 3-methyl-but-2-enyl side chains are in (+)-synclinal and (-)-anti-clinal conformations. Intra-molecular O-H⋯O and C-H⋯O inter-actions occur. The crystal structure is stabilized by inter-molecular O-H⋯O, C-H⋯O and C-H⋯π inter-actions.
The title compound, Artonol B, C(24)H(20)O(7), isolated from the stem bark of Artocarpus kemando, consists of four six-membered rings and one five-membered ring. The tricyclic xanthone ring system is almost planar [maximum deviation 0.115 (5) Å], whereas the pyran-oid ring is in a distorted boat conformation·The furan ring is almost coplanar with the fused aromatic ring, making a dihedral angle of 3.76 (9)°. The phenol ring serves as a intra-molecular hydrogen-bond donor to the adjacent carbonyl group and also acts as an inter-molecular hydrogen-bond acceptor for the methyl groups of adjacent mol-ecules, forming a three-dimensional network in the crystal.
In the title compound, C26H24N2O2, the benzimidazole ring system is almost planar [maximum displacement = 0.025 (1) Å] and makes dihedral angles of 80.48 (5) and 41.57 (5)° with the benzene rings, which are inclined to one another by 65.33 (6)°. In the crystal, mol-ecules are linked via C-H⋯π and weak π-π inter-actions [centroid-centroid distance = 3.8070 (7) Å and inter-planar distance = 3.6160 (5) Å].
The title compound, C23H22FN5S, exists in a trans conformation with respect to the methene C=C and the acyclic N=C bonds. The 1,2,4-triazole-5(4H)-thione ring makes dihedral angles of 88.66 (9) and 84.51 (10)°, respectively, with the indole and benzene rings. In the crystal, mol-ecules are linked by pairs of N-H⋯S hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif. The dimers are linked via C-H⋯π inter-actions, forming chains along [1-10]. The chains are linked via π-π inter-actions involving inversion-related triazole rings [centroid-centroid distance = 3.4340 (13) Å], forming layers parallel to the ab plane.