The Gibbs free energy, enthalpy and entropy of partitioning of 45 simple aromatic compounds (phenols, benzoic acids and acetanilides) from water to octanol and from water to cyclohexane have been determined using the filter-probe method. This involved the measurement of partition coefficients over the temperature range 20-45C. The aim of the work was to explore the effects of intramolecular hyd...

In the title compound, C(21)H(21)Cl(2)NO(2), the piperidine ring adopts a distorted boat conformation. The two phenyl rings are approximately perpendicular to each other, with a dihedral angle of 86.12 (7)°. Mol-ecules are linked into centrosymmetric dimers by pairs of bifurcated C-H⋯O hydrogen bonds, forming R(2) (2)(10) and R(2) (2)(14) ring motifs, and an intramolecular C-H⋯O link also occurs.

The title compound, C15H22O3, crystallizes with two independent mol-ecules in the asymmetric unit. In each mol-ecule, one hy-droxy group (at position 2) is involved in an intra-molecular O-H⋯O hydrogen bond, and another one (at position 3) exhibits bifurcated hydrogen-bonding being involved in intra- and inter-molecular O-H⋯O inter-actions. In the crystal, O-H⋯O hydrogen bonds link alternating ...

In the title compound, C(13)H(12)N(2)O(4)S, the dihedral angle between the benzene rings is 53.44 (14)°. The amide H atom exhibits bifurcated hydrogen bonding: an intra-molecular N-H⋯O hydrogen bond generates an S(7) motif while in the crystal, N-H⋯O(S) hydrogen bonds link the mol-ecules into zigzag C(4) chains along the c axis.

In the title compound, C(13)H(12)N(2)O(4)S, the dihedral angle between the benzene rings is 73.64 (7)°. The amide H atom exhibits bifurcated hydrogen bonding: an intra-molecular N-H⋯O hydrogen bond generates an S(7) motif while in the crystal, N-H⋯O(S) hydrogen bonds link the mol-ecules into zigzag C(4) chains running along the b axis.

The furan ring and the five-membered fluorene unit in the title compound, C(26)H(22)Cl(2)O(4), adopt envelope conformations. Inter-molecular C-H⋯O inter-actions between symmetry-related mol-ecules involving two C-H groups and an O atom as a bifurcated acceptor generate centrosymmetric hydrogen-bonded dimers with cyclic R(2) (2)(16) and R(2) (2)(8) ring motifs. A short C-H⋯Cl intramolecular cont...

The crystal structure of the title salt, [Fe(C5H5)(C8H13N)](HC2O4), consists of discrete (ferrocenylmeth-yl)di-methyl-ammonium cations and hydrogen oxalate anions. The anions are connected through a strong O-H⋯O hydrogen bond, forming linear chains running parallel to [100]. The cations are linked to the anions through bifurcated N-H⋯(O,O') hydrogen bonds. Weak C-H⋯π inter-actions between neigh...

The structures of the mono- and the dihalogenated N-unsubstituted 2-aminobenzamides were characterized by means of the spectroscopic (¹H-NMR, UV-Vis, FT-IR, and FT-Raman) and X-ray crystallographic techniques complemented with a density functional theory (DFT) method. The hindered rotation of the C(O)-NH₂ single bond resulted in non-equivalence of the amide protons and therefore two distinct re...

In the title mol-ecule, C(16)H(16)O(3), the ring system is planar and an intramolecular hydrogen bond is present. The mol-ecular packing is dominated by an inter-molecular hydrogen bond and by π-stacking inter-actions [inter-planar separation 3.8012 Å].

the crystal structure of the compound c20 h24 n2 o24 was determined by direct methods. thecrystals are monoclinic, space group p21/n, and unit cell parameters are: a= 10.2342 (9), b=4.8763 (5),c=19.3578 (11) a, β =98.9632 (10) o ,v=956.6 (5) a3, z=2, dc=1.239grm-3, dm=1.22grm-3. the final rfactorsare converged to r=0.059 and rw=0.056 for 553 independent observed reflections. themolecules are li...