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Two crystallographically independent molecules (A and B) are present in the asymmetric unit of the title compound, C11H9IN2OS, which differ mainly in the dihedral angle between the phenyl and thiazole rings [38.94 (16) and 32.12 (15)°, respectively]. In the crystal, the molecules form ...A...B...A...B... chains along the [001] and [010] directions through moderate N—H...O hydrogen bonds and C—H...π interactions, respectively. The overall three-dimensional network is formed by I...I and I...S interactions. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H...C/C...H (26.2%), H...H (20.9%), H...I/I...H (19.4%) and H...O/O...H (6.8%) interactions.

The title compound, C30H44O3 [systematic name: 6aR,6 bR,8aS,9aR,12aR,14bR)-4,4,6a,6;b,8a,14b-hexamethyl-12-methyleneicosahydro-3H-phenanthro[1′,2′:6,7]indeno[2,1-b]furan-3,11(2H)-dione], is a triterpene lactone, which was isolated from dichloromethane extract of Elaeodendron trichotomum (Turcz.) Lundell (celastraceae) stem bark. The compound has a lupane skeleton and consists of four fused six-membered rings and two five-membered rings. In the crystal, molecules are linked by weak C—H...O hydrogen bonds into a three-dimensional network. The configuration of ochraceolide A was proposed based on analogue compounds which belong to the lupane type.

In the title compound, C23H18N3O3+·CF3SO3−, the asymmetric unit contains two crystallographically independent organic cations with similar conformations. Each cation shows a moderate distortion between the planes of the amide groups and the quinolinium rings with dihedral angles of 14.90 (2) and 31.66 (2)°. The quinolinium and phenyl rings are slightly twisted with respect to each other at dihedral angles of 6.99 (4) and 8.54 (4)°. The trifluoromethanesulfonate anions are linked to the organic cations via N—H...O hydrogen-bonding interactions involving the NH amide groups. In the crystal, the organic cations are linked by weak C—H...O(nitro group) interactions into supramolecular chains propagating along the b-axis direction.

In the title compound, C23H16O2S, the thiophene group is rotationally disordered into two fractions almost parallel to each other, with occupation factors of 0.523 (7) and 0.477 (7), and subtending dihedral angles of 10.5 (5) and 9.3 (5)°, respectively, to the thiophene group. The molecules are held together by weak C—H...O and C—H...π hydrogen bonds, producing a laminar arrangement, which are further connected in a perpendicular fashion by S...π contacts [S...centroid = 3.539 (8) and 3.497 (8) Å]. In spite of the presence of the entended pyrene group, the structure does not present any parallel π–π stacking interactions. The structure was refined as an inversion twin.

The title compound, C17H12O, crystallized with three independent molecules (A, B and C) in the asymmetric unit. In the crystal, the three independent molecules are linked by π–π interactions [centroid–centroid distances = 3.551 (3)–3.977 (2) Å], which lead to the formation of trimers. Between the trimers there are a number of C—H...π interactions generating a laminar arrangement parallel to (010). The methoxymethyl group in molecule A is disordered over two sets of sites, with an occupancy ratio of 0.56 (9):0.44 (9).

The title compound, (C9H9N2S)2[PdCl4], consists of two monoprotonated 2-amino-4-phenyl-1,3-thiazole molecules and one tetrachloridopalladate anion. The organic molecules exhibit a dihedral angle between the main rings planes of 31.82 (9)°. In the anion, the PdII atom is located on a crystallographic centre of symmetry with a square-planar geometry. In the crystal, the anions and cations are connected through bifurcated N—H...Cl hydrogen bonds, and these interactions lead to hydrogen-bonded tapes of cations and anions along [100].

In the cation of the title molecular salt, C6H16NO+·Cl−, the N—C—C—O torsion angle is 176.5 (2)°. In the crystal, the cations and chloride ions are linked by N—H...O and O—H...O hydrogen bonds, generating a two-dimensional network parallel to (100).

The title compound, [PdCl2(C18H24N2)]·(CH3)2SO·H2O, the PdII ion is in a distorted square-planar geometry. The Pd—N bond distances are 2.022 (2) and 2.027 (2) Å, the Pd—Cl bond distances are 2.2880 (7) and 2.2833 (7) Å, and the ligand bite angle is 80.07 (9)°. The dimethyl sulfoxide and water molecules form linear chains along [100] by O—H...O and O—H...S hydrogen bonds, generating eight- and 12-membered rings. C—H...Cl interactions link the chains, forming a three-dimensional arrangement. In addition, the 4,4-di-tert-butyl-2,2′-bipyridine ligand exhibits π–π stacking interactions [centroid–centroid distances = 3.8741 (15) and 3.8353 (15) Å]. The DMSO solvent is disordered and was refined with an occupancy ratio of 0.866 (3):0.134 (3).

The asymmetric unit of the title compound, [PdCl2(C10H8N2)]·0.5C4H8O2, consists of one PdII complex molecule and a half-molecule of 1,4-dioxane, the complete molecule being generated by inversion symmetry. The PdII atom has an almost square-planar coordination formed by the 2,2′-bipyridine ligand and two chloride ligands. Two intramolecular C—H...Cl hydrogen bonds occur. In the crystal, the PdII complex and 1,4-dioxane molecules are connected by C—H...O hydrogen bonds, forming a layer parallel to (10-1). Within the layer, weak π–π interactions [centroid–centroid distance = 3.817 (4) Å] are observed between the pyridine rings.

There are two independent molecules in the asymmetric unit of the title compound, C24H22N2O4S3. In each, the sulfonamide N atoms reveal nearly a trigonal-planar geometry with two S atoms of the O=S=O groups and one C atom of the thiazole ring; the angles around the N atoms are between 117.00 (13) and 123.86 (9)°. The methylphenylsulfonyl groups are in anti conformations, forming dihedral angles of 78.00 (7)/72.53 (5) and 77.09 (6)/71.50 (7)° with the trigonal S—N—S planes in the two molecules. The thiazole groups are rotated around the C—N bonds and are almost perpendicular to the S—N—S plane [dihedral angles of 78.00 (7)/72.53 (5) and 77.09 (6)/71.50 (7)°]. In the crystal, pairs of C—H...O interactions, with the O atoms of the sulfonamide groups as acceptors, link each of the independent molecules into inversion dimers.

In the title compound, [Ru(CH3OCS2)2(C18H15P)2], the RuII atom is in a distorted octahedral coordination by two xanthate anions (CH3OCS2) and two triphenylphosphane (PPh3) ligands. Both bidentate xanthate ligands coordinate the RuII atom with two slightly different Ru—S bond lengths but with virtually equal bite angles [71.57 (4) and 71.58 (3)°]. The packing of the complexes is assured by C—H...O and C—H...π interactions.

The title compound, [Pd(C26H45S4)Cl]·CH2Cl2, crystallizes with a disordered dichloromethane solvent molecule [occupancy ratio = 0.67 (4):0.33 (4)]. Two of the tert-butyl groups are also disordered [occupancy ratios = 0.70 (5):0.30 (5) and 0.63 (4):0.37 (4)]. Although the pincer ligand offers the possibility for coordination of two different metal atoms, the present structure shows only the coordination of a single PdII atom in a typical S—C—S tridentate pincer manner. The PdII atom is in a slightly distorted square-planar environment with the two tert-butylsulfanyl groups arranged in a trans conformation and with a chloride ligand trans to the σ-bonded aromatic C atom. The structure exhibits a durene-like ligand frame, forming a dihedral angle of 13.6 (4)° with the metal coordination (Pd/S/S/Cl/C) environment. It is noteworthy that the tert-butyl groups are found in a syn arrangement, this being different to that found previously by Loeb, Shimizu & Wisner [(1998). Organometallics, 17, 2324–2327].

In the title organic salt, C5H7N2+·C8H5O4−, the carboxylic group is nearly coplanar with the benzene ring [dihedral angle 1.9 (4)°] whereas the carboxylate group is twisted relative to the benzene ring by 13.6 (4)°. In the crystal, N-H...O and O—H...O hydrogen bonds connect the components into a three-dimensional framework consisting of stacks of alternating pairs of anions and cations exhibiting π–π stacking interactions with centroid–centroid distances in the range 3.676 (2)–3.711 (1) Å. The π–π stacks extend along [110] and [-110].

The title complex, [Pd(C2H2N3S2)2(C18H15P)2]·2C2H6OS·0.5H2O, was obtained from the reaction of trans-[(Ph3P)2PdCl2] with 5-amino-1,3,4-thiadiazole-2-thione (SSNH2) in a 2:1 molar ratio. The PdII atom, located in a crystallographic center of symmetry, has a square-planar geometry with two triphenylphosphine P-coordinated molecules and two SSNH2 ligands with the S atoms in a trans conformation. The latter ligand exhibits N—H...N hydrogen-bonding contacts formed by the amino group with the thiadiazole ring, generating a chain along the c axis. The asymmetric unit contains one half of the complex molecule along with disordered dimethyl sulfoxide and water molecules.

The title compound [systematic name: (9-methoxy-3,5-dimethyl-5,6-dihydronaphtho[2,3-b]furan-4-yl)methyl 2-methylbut-2-enoate], C21H24O4, was isolated from matarique, or Psacalium peltatum (Kunth). The structure is almost planar. The angeloyloxy group makes an angle of 62.08 (2)° with the furanoeremophilane skeleton. The carbonyl O atom is disordered between two positions with a 76:24 ratio. The molecules in the crystal are joined by very weak C—H—O interactions in the ac plane.

The dihedral angle between the aromatic rings in the title compound, C15H14S, is 72.38 (7)°. In the crystal, the molecules are connected by C—H...π interactions.

The title compound, C9H10N2O4·H2O, was obtained as a zwitterion derived from the nucleophilic attack of 3-aminopyridine on the fumaric α,β-system. Within the molecule, the aminopyridine moiety and the carboxylate and carboxylic acid fragments form dihedral angles of 68.6 (2) and 62.8 (2)°, respectively. The geometry adopted by the molecule does not allow the formation of centrosymmetric dimeric hydrogen-bonded units; instead chains along the a axis are linked by COO—H...OOC motifs. These chains are interconnected by N—H...O and O—H...O hydrogen bonds involving the carboxylic acid and carboxylate units and the solvent water molecules.

The asymmetric unit of the title compound, [NiCl2(C19H9F6N3)], contains one half-molecule residing on a crystallographic twofold rotation axis. The title compound crystallizes in space group C2/c while the previously reported polymorph was reported in P21/c [Baldovino-Pantaleón et al. (2006). Adv. Synth. Catal. 348, 236–242]. The Ni2+ ion exhibits a pentacoordinate distorted trigonal–bipyramidal NiCl2N3 geometry, with two Cl atoms in the equatorial plane. In the crystal, molecules are linked by intermolecular C—F...π [F...centroid = 2.9676 (14) Å] interactions.

The title compound, C25H23NO, consists of a biphenyl-4-carbonyl unit attached to an exocyclic double bond group at position 2 of an indole unit, which presents methyl groups as substituents at positions 1 and 3. The molecular conformation is s-cis with an E configuration, supported by weak intramolecular C—H...O contacts involving the methyl groups and the carbonyl function. The rings of the biphenyl group are twisted by 37.13 (5)°. In the crystal, C—H...O and C—H...π interactions link the molecules.

The title compound, [Pd(C2H3OS2)2(C18H15P)], features a palladium complex with a triphenylphosphane ligand and two xanthate ligands, one of them coordinates in a bidentate and the other in a monodentate fashion, giving rise to a slightly distorted square-planar coordination of the PdII ion. As a result of this difference in the coordination modes, the C—S bond lengths are different, viz. 1.687 (2) and 1.692 (2) Å in the bidentate ligand and 1.723 (2) Å in the monodentate ligand, whereas the non-coordinating S atom has a C—S distance of 1.649 (2) Å. The crystal packing is stabilized by C—H...O interactions.

In the title compound, [Sn(C6H5)(C8H9S)3], the Sn atom has an approximately tetrahedral SNCS3 geometry, with angles at this atom ranging from 105.13 (3) to 113.54 (9)°. The crystal packing does not involve any significant intermolecular interactions, although the benzene rings are involved in a number of weak intra- and intermolecular C—H...π interactions.

In the title compound, [RuCl(C10H14)(C14H16N2)]PF6, the aromatic ring of the isopropylmethylbenzene fragment shows an η6-arene coordination to the ruthenium atom. Its coordination sphere is completed by a chloride ligand and 2-(sec-butyliminomethyl)quinoline. The dihedral angle between the η6-arene ring and the quinoline Schiff base is 45.64 (9)°. The sec-butyl substituent and the PF6− anion are disordered over two positions with ratios of 0.595 (11):0.405 (11) and 0.752 (8):0.248 (8), respectively.

In the title compound, [Pd(C5H4NS)(C18H14PS)(C18H15P)], the PdII atom has a slightly distorted square-planar environment. Two coordination sites are occupied by a P,S-chelating 2-(diphenylphosphanyl)benzenethiolate ligand and the other two by a P atom from a triphenylphosphine ligand and an S atom from a pyridine-2-thiolate ligand, exhibiting a trans arrangement of the two P-donor atoms. In the crystal structure, weak intra- and intermolecular C—H...π and π–π interactions are observed. The pyridyl ring is equally disordered over two positions.

The title compound, C24H21N2OP, was obtained by reacting 2-aminopyridine and 2-(diphenylphosphinyl)benzaldehyde in ethanol. It crystallizes with two crystallographically independent molecules in the asymmetric unit. The aminopyridine units and the benzene ring bonded to the phosphine oxide P atom form dihedral angles of 88.58 (7) and 82.47 (9)° in the two molecules. The crystal structure displays strong N—H...O and weak C—H...O hydrogen bonds along the b axis and C—H...π aromatic intra- and intermolecular interactions.

The title compound, C18H27NO2, crystallizes as the enamine form with Z geometry. The β-enaminoester fragment forms a dihedral angle of 87.5 (1)° with the isopropylphenyl frame. The structure exhibits an intramolecular N—H...O hydrogen bond. In addition, in the crystal, molecules are linked by a centrosymmetric intermolecular N—H...O hydrogen bond.

The title compound, C11H16O3, was obtained by reaction of dimedone, 5,5-dimethylcyclohexane-1,3-dione, and α-chloroacetone. The cyclohexenone ring exhibits an envelope conformation with puckering amplitudes Q = 0.433 (2) and Φ = −109.0 (3)°. The 2-oxopropyl fragment is almost perpendicular to the cyclohexanone ring [dihedral angle = 77.72 (8)°]. In the crystal, the molecules are linked to each other through O—H...O hydrogen bonding, building a chain parallel to the b axis.

The asymmetric unit of the title compound, [Ru2Br4(C10H14)2], contains one half of the centrosymmetric molecule. Each Ru center is coordinated by tetramethylbenzene ring in a η6-coordination mode, and one terminal and two bridging bromine atoms. The aromatic rings and the Ru2Br2 four-membered ring form a dihedral angle of 55.99 (8)°. In the crystal structure, weak intermolecular C—H...Br interactions link molecules into chains propagated in [001].

Dimeric molecules of the title compound, [Ru2Cl4(C12H18)2], are located on a crystallographic centre of inversion with one molecule in the asymmetric unit. The hexamethylbenzene rings are in an η6-coordination to the ruthenium centres, which are bridged by two chloride ligands. In addition, the ruthenium centres are bonded to another chloride ligand. The aromatic rings and the Ru2Cl2 four-membered ring enclose a dihedral angle of 55.85 (6)°.

The title compound, C15H21NO2, was obtained by the reaction of acetoacetate with 2,4,6-trimethylaniline using Mexican bentonitic clay as a catalyst. It crystallizes in the enamine form. The β-enamino ester residue is almost perpendicular to the aromatic ring [dihedral angle = 88.10 (6)°]. The molecular conformation is stabilized by a strong intramolecular N—H...O hydrogen bond. In addition, the N—H group forms a weak intermolecular N—H...O hydrogen bond linking the molecules into centrosymmetric dimers.

In the title compound, [Cu2(C10H12O4)(C12H8N2)2(H2O)2](BF4)2·H2O, the two Cu atoms are each chelated by the acetylacetonate unit of the 3,4-diacetylhexa-2,4-diene-2,5-diolate (tae) ligand. The Cu atoms are square-pyramidally pentacoordinated, with one bidentate 1,10-phenanthroline (phen) and the tae ligand basal and one water molecule apical. The pyridyl rings of the phen ligands participate in π–π [centroid–centroid distance = 3.894 (3) Å] and C—H ... π interactions, generating layers which are interconnected through O—H...O and O—H...F hydrogen bonds between the water molecules and the tetrafluoridoborate anions. The F atoms of both tetrafluoridoborate anions are each disordered over two positions of equal occupancy.

The title compound, [Rh(C15H16PS)(C18H15P)(CO)], was synthesized from the reaction of the ligand rac-[Ph2PCH2CH(CH3)SH] with trans-[Rh(F)(CO)(PPh3)2] in a 1:1 molar ratio in toluene. The Rh atom is four-coordinated in a distorted square-planar geometry with the P—S ligand [Ph2PCH2CH(CH3)S] acting as a chelate and the PPh3 and disordered CO [site occupation factors of 0.61 (5) and 0.39 (5)] ligands completing the coordination.

The title compound, [Pd(C18H14PS)2], was synthesized by the reaction of (Ph2PC6H4SH) with [PdCl2(NCC6H5)2] in a 2:1 molar ratio in the presence of a slight excess of NEt3 as base in dichloromethane. The compound crystallizes with the Pd(II) atom on a twofold rotation axis. The palladium center has a slightly distorted square-planar environment, with the two P—S chelating ligands adopting a cis configuration. The present structure is a pseudo-polymorph of [Pd(C18H14PS)2]·CH2Cl2.

The title compound, C20H27NOS, was obtained from the corresponding O-thiocarbamate. The structure features a C=O bond distance of 1.209 (2) Å and an sp3-hybridized S atom [C—S—C = 101.66 (1)°]. The steric bulk of the 1-adamantyl substituent on the 2-position of the aromatic ring is reflected in the S—C—C—C torsion angle [−7.5 (3)°].

In the title ylide, C31H28ClO2P [common name α-acetyl-α-p-chlorobenzoylmethylenetri(p-tolyl)phosphorane], the dihedral angle between the 4-chlorophenyl ring and that of the ylide moiety is 66.15 (10)°. The geometry around the P atom is slightly distorted tetrahedral [angle range = 105.22 (8)–115.52 (9)°] and the carbonyl O atoms are syn-oriented with respect to the P atom. The ylide group is close to planar [maximum deviation from the least-squares plane = 0.006 (2) Å] and the P—C, C—C and C=O bond lengths are consistent with electron delocalization involving the O atoms.