In the title compound, C(17)H(18)BrN(3)O(2)S, the dihedral angle between the aromatic rings is 9.15 (17)°. A bifurcated intra-molecular N-H⋯(N,O) hydrogen bond generates two S(5) rings and a weak intra-molecular C-H⋯S inter-action completes an S(6) ring motif. In the crystal, inversion dimers linked by pairs of N-H⋯S hydrogen bonds generate R(2) (2)(8) loops and weak C-H⋯S and C-H⋯π inter-actio...

In the title compound, C(6)H(5)IO(3)S·C(4)H(9)NO·H(2)O, N,N-dimethylacetamide and 4-iodobenzenesulfonic acidmolecules are linked by an intramolecular C-H⋯O hydrogen bond. In the crystal structure, inter-molecular O-H⋯O, O-H⋯I and C-H⋯O hydrogen bonds link the mol-ecules.

BACKGROUND The proton at position 5 of imidazo[1,2-a]pyridines substituted with an angular electron withdrawing group (EWG) at position 3, shows an unusual downfield chemical shift, which is usually explained in terms of a peri effect. However usage of this term is sometimes confusing. In this investigation, it is proposed that the aforementioned shift is in fact a combination of several factor...

The constituents of the title 1:1 co-crystal, C(7)H(6)O(2)·C(14)H(12)N(2), are connected into dimeric aggregates by a bifurcated O-H⋯N hydrogen bond; the hydroxyl-H atom is hydrogen bonded to the two N atoms of the 2,9-dimethyl-phenanthroline. The hydrogen-bonded residues are almost orthogonal to each other [dihedral angle = 78.56 (7) °]. In the crystal packing, the aggregates are assembled int...

A series of Schiff bases, salicylideneaniline derivatives 1-4, was synthesized under mild conditions and characterized by 1H NMR, HRMS, UV-Vis and fluorescence spectra, and single-crystal X-ray diffraction. In solid and aprotic solvents 1-4 exist mainly as E conformers that possess an intramolecular six-membered-ring hydrogen bond. A weak intramolecular C-H···F hydrogen bond is also observed in...

For the first time, a statistical potential has been developed to quantitatively describe the CH.O hydrogen bonding interaction at the protein-protein interface. The calculated energies of the CH.O pair interaction show a favorable valley at approximately 3.3 A, exhibiting a feature typical of an H-bond and similar to the ab initio quantum calculation result (Scheiner, S., Kar, T., and Gu, Y. (...

The asymmetric unit of the title compound, C(10)H(12)N(2)O(3)·2H(2)O, contains two organic mol-ecules with similar conformations and four water mol-ecules. Each organic mol-ecule is close to planar (r.m.s. deviations = 0.035 and 0.108 Å) and adopts a trans conformation with respect to its C=N bond. In the crystal, the components are linked into a three-dimensional network by N-H⋯O, O-H⋯O, O-H⋯N...

In the title compound, C(13)H(10)N(2)O(5)S·H(2)O, the dihedral angle between the sulfonyl and benzoyl benzene rings is 83.4 (1)°. In the crystal, the water mol-ecule forms four hydrogen bonds with three different mol-ecules of N-benzoyl-4-nitro-benzene-sulfonamide. One of the H atoms of H(2)O forms a bifurcated hydrogen bond with a sulfonyl and the carbonyl O atoms. Mol-ecules are linked into a...

In the title compound, C(16)H(17)N(3)O(4), the mol-ecule exists in an E configuration with respect to the C=N double bond. The mol-ecule is not planar, the dihedral angle between the pyridine and benzene rings being 71.67 (8)°. In the crystal structure, mol-ecules are linked into chains along the b axis by bifurcated N-H⋯O and C-H⋯O hydrogen bonds. These chains are linked into a three-dimension...

In the title compound, C(14)H(10)ClN(3)O(4)·2CH(4)O, the main mol-ecule is in an E configuration with respect to the methyl-idene unit. The dihedral angle between the mean planes of the two benzene rings is 1.9 (3)°. In the crystal, inter-molecular N-H⋯O, O-H⋯O and bifurcated O-H⋯(O, O) hydrogen bonds link the components into sheets parallel to (100). An intra-molecular O-H⋯O hydrogen bond is a...