6-Cyanonaphthalen-2-yl 4-hexylbenzoate

In the title compound, C24H23NO2, a whole molecule 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, molecules 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...n interactions

4-(Dodec­yloxy)benzonitrile

In the title compound, C19H29NO, 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 alkyl­benzenes. In the crystal, inversion dimers linked by pairs of C—H⋯O hydrogen bonds occur. A C—H⋯N inter­action also occurs. In the crystal, mol­ecules 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

2-[(1E)-[(Z)-2-({[(1Z)-[(E)-2-[(2-Hydroxyphenyl)methylidene]hydrazin-1-ylidene]({[(4-methylphenyl)methyl]sulfanyl})methyl]disulfanyl}({[(4-methylphenyl)methyl]sulfanyl})methylidene)hydrazin-1-ylidene]methyl]phenol: crystal structure, Hirshfeld surface analysis and computational study

The complete molecule of the title hydrazine carbodithioate derivative, C32H30N4O2S4, is generated by a crystallographic twofold axis that bisects the disulfide bond. The molecule is twisted about this bond with the C—S—S—C torsion angle of 90.70 (8)⁰ indicating an orthogonal relationship between the symmetry-related halves of the molecule. The conformation about the imine bond [1.282 (2) A ˚ ] isE 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)⁰]. An intramolecular hydroxyl-O—H...N(imine) hydrogen bond closes an S(6) loop. In the crystal, methylene-C—H...π(tolyl) contacts assemble molecules into a supramolecular layer propagating in the ab plane: the layers stack without directional interactions 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(tolyl) contacts. The calculation of the interaction energies confirm the importance of the dispersion term and the influence of the stabilizing H...H contacts in the inter-layer region

(20S*,24S*)-25-Hy­droxy-20,24-ep­oxy-A-homo-4-oxadammaran-3-one (Chrysura) isolated from the leaves of Walsura chrysogyne

The title dammarane triterpenoid, C30H50O4, 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 cyclo­hexane rings adopt chair conformations. The cyclo­pentane and tetra­hydro­furan 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 intra­molecular C—H⋯O hydrogen bond in the mol­ecule, which forms S(6) and S(7) ring motifs. In the crystal, mol­ecules are linked via O—H⋯O and C—H⋯O hydrogen bonds, forming chains propagating along [001] which stack along the b-axis direction

Unusual {⋯HNC2O⋯HCnO}, n = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S2P(OR)2]2(3LH2)}n, for R = Me and Et, but are precluded when R = i-Pr; 3LH2 = N,N′-bis(3-pyridylmethyl)oxalamide

Linear, one-dimensional coordination polymers, {Cd[S2P(OR)2]2(3LH2)}n, for R = Me (1), Et(2) and i-Pr(3) have been fully characterised by a variety of physiochemical, spectroscopic, crystallographic and computational techniques. Two-dimensional layers are apparent in the crystals of 1 and 2, being mediated, respectively, by unusual {···HNC2O···HCnO}, n = 1 or 2, synthons formed between the oxalamide and phosphorus-bound alkoxy residues. Related synthons are not observed in the crystal of 3, with supramolecular tapes, mediated by concatenated {···HNC2O}2 synthons, being formed instead. The observed differences in supramolecular association are ascribed to the increased steric bulk and reduced inductive effect of the R = i-Pr group compared with R = Me and Et

[(Z)-N-(3-Fluorophenyl)-O-methylthiocarbamato-κS](triphenylphosphane-κP)gold(I): crystal structure, Hirshfeld surface analysis and computational study

The title phosphanegold(I) thiolate, C26H22AuFNOPS or [Au(C8H7FNOS)(C18H15P)], has the AuI centre coordinated by phosphane-P [2.2494 (8) A ˚ ] and thiolate-S [2.3007 (8) A ˚ ] atoms to define a close to linear geometry [P—Au—S = 176.10 (3)⁰]. The thiolate ligand is orientated so that the methoxy-O atom is directed towards the Au atom, forming an Au...O close contact of 2.986 (2) A ˚ . In the crystal, a variety of intermolecular contacts are discerned with fluorobenzene-C—H...O(methoxy) and phenyl-C—H...F interactions leading to dimeric aggregates. These are assembled into a three-dimensional architecture by phenyl-C—H...S(thiolate) and phenyl-C—H...π(fluorobenzene, phenyl) interactions. 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(fluorobenzene) and fluorobenzene-C— H...C(imine) interactions (-37.2 kcal mol-1), and from the fluorobenzene C—H...F and phenyl-C—H...O interactions (-34.9 kcal mol-1), the latter leading to the dimeric aggregate