Classical Molecular Dynamics simulations are carried out to investigate the aggregation of supercooled benzoic acid in confined spaces. Nanocavities, nanotubes and nanolayers defined by restricting periodicity the...

The title compound, C(17)H(16)O(5), is an important inter-mediate for the synthesis of side-chain ligands for polymeric liquid crystals. The prop-oxy and benzoic acid groups subtend dihedral angles of 4.36 (6) and 55.35 (6)°, respectively, with the central benzo-yloxy unit. The crystal structure is stabilized by an inter-molecular O-H⋯O hydrogen bond.

In the title compound, C(13)H(9)FO(3), the dihedral angle between the two benzene rings is 70.99 (5)°. In the crystal structure, mol-ecules are linked into dimers by centrosymmetric O-H⋯O inter-actions, generating R(2) (2)(8) ring motifs. These dimers are linked into a two-dimensional array, parallel to the ab plane, by two different C-H⋯O inter-actions. A weak C-H⋯π inter-actions is also present.

In the crystal structure of the title compound, C(14)H(12)O(3), the mol-ecules form classical O-H⋯O hydrogen-bonded carb-oxy-lic acid dimers. The dihedral angle between the two rings is 80.9 (3)°.

In the title compound, C(21)H(18)O(4), the outer benzyl rings are disordered over two resolved positions in a 0.50 ratio. The O-CH(2) groups form dihedral angles of 4.1 (2) and 10.9 (4)° with the central benzene ring, adopting a syn-anti conformation with respect to this ring. In the crystal, the mol-ecules are linked by O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions, forming chains along [0...

The title compound, C(22)H(26)O(5), is an important inter-mediate for the synthesis of side-chain ligands for polymeric liquid crystals. The octyl group is coplanar with the central C(6)O moiety, where the maximum deviation of a C atom in the octyl group from the C(6)O plane is 0.161 (5) Å. The crystal structure is stabilized by inter-molecular O-H⋯O hydrogen bonds.

The title compound, [Eu2(C7H5O2)6(C15H11N3)2(H2O)2]·2C7H6O2, is a co-crystalline compound containing a dinuclear Eu(III) coordination complex with inversion symmetry co-crystallized with benzoic acid in a 1:2 ratio. The Eu(3+) ions within the dimer are nine-coordinate, containing one tridentate terpyridine, one water, and four benzoate ions, two of which bridge the Eu(3+) ions. Of the four benz...

The 1:1 co-crystal N ′-[(2-methylphenyl)methylidene]pyridine-4-carbohydrazide–benzoic acid (1/1), C 13 H 11 3 O·C 7 6 O 2 , formed unexpectedly after autoxidation of benzaldehyde during the slow evaporation process a solution isoniazid in benzaldehyde. original intent synthesis was to modify with and crystallize product order improve efficacy against Mycobacteria species, but benzoic spontaneou...

Over the past decade, the chemical behavior of flavonoids as antioxidants has become the subject ofintense experimental research. In this paper, we use a quantum-chemical approach to shed light on thereactivity of four poly phenols, Benzoic acid, vanilic acid, gallic acid and flavone . In order to establishthe most efficient theoretical methodology, different methods, either Hartree—Fock-based ...

In the title compound, C(15)H(14)N(2)O(5)S, two similar mol-ecules comprise the asymmetric unit, which are linked by strong inter-molecular C-H⋯π inter-actions. Both mol-ecules are bent, with dihedral angles of 71.94 (16) and 74.62 (15)° between the benzene rings. An intra-molecular N-H⋯O hydrogen bond occurs in each mol-ecule. In the crystal, inter-molecular N-H⋯O and O-H⋯O hydrogen bonds link...