The inclusion compound of urea with hexadecane has a superstructure of an ideal hexagonal structure found in other members of the series of urea-n-paraffin adducts consisting essentially of honeycomb-like channels formed by the host into which the long chain molecules are embedded. In order to elucidate the nature of the superstructure, which manifests itself by addiditonal weaker reflexions ( ...

Secretagogin is a calcium-sensor protein with six EF-hands. It is widely expressed in neurons and neuro-endocrine cells of a broad range of vertebrates including mammals, fishes and amphibia. The protein plays a role in secretion and interacts with several vesicle-associated proteins. In this work, we have studied the contribution of calcium binding and disulfide-bond formation to the stability...

The Sn atom in the title compound, [Sn(C(3)H(6)NO)Cl(3)(CH(4)N(2)O)], is octa-hedrally coordinated within a CCl(3)NO donor set provided by a chelating amido-ethyl ligand (C and O), a urea-O atom and three facially arranged Cl atoms. Systematic variations in the Sn-Cl bond distances are correlated with the relative trans influence exerted by the C and carbonyl-O atoms. The three-dimensional crys...

In the title mol-ecule, C(18)H(20)F(2)N(2)O(2)S, the 2,6-difluoro-4-hy-droxy-phenyl ring and the carbonyl-thio-urea group are each essentially planar, with maximum deviations of atoms from their mean planes of 0.0113 (14) and 0.1017 (15) Å, respectively; the dihedral angle between these two planes is 71.03 (6)°. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, N-H⋯O and O-H⋯S hydr...

In the title compound, C16H17N3OS, a benzoyl thio-urea derivative, the planes of the pyridine and benzene rings are inclined to one another by 66.54 (9)°. There is an intra-molecular N-H⋯O hydrogen bond present forming an S(6) ring motif. In the crystal, mol-ecules are linked via pairs of N-H⋯N hydrogen bonds, forming inversion dimers, which are reinforced by pairs of C-H⋯S hydrogen bonds. The ...

In the title compound, C(9)H(9)ClN(2)OS, the 3-chloro-phenyl and acetyl-thio-urea fragments are oriented at a dihedral angle of 62.68 (5)°. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. Mol-ecules are linked into dimers via a cyclic R(2) (2)(8) motif of N-H⋯S hydrogen bonds. These dimers are further connected through C-H⋯S inter-actions, completing an R(2) (2)(12) motif, ...

The conformational propensities of unfolded states of apomyoglobin have been investigated by measurement of residual dipolar couplings between (15)N and (1)H in backbone amide groups. Weak alignment of apomyoglobin in acid and urea-unfolded states was induced with both stretched and compressed polyacrylamide gels. In 8 M urea solution at pH 2.3, conditions under which apomyoglobin contains no d...

The title compound, C(14)H(18)N(2)O(3)S, crystallizes in the thio-amide form with an intra-molecular N-H⋯O hydrogen bond associated with the thio-urea unit. With the benzoic acid and the butyrylthio-ureido units, the mol-ecule consists of two planar building blocks connected by the common NH function adjacent to the aromatic ring. The inter-planar angle is 33.38 (3)°. Mol-ecules are connected i...

The mononuclear mixed-ligand title complex, [CuCl(C7H7N3O2S)(C18H15P)2], displays a distorted tetra-hedral coordination sphere around the CuI atom, with two P atoms from two tri-phenyl-phosphane mol-ecules, one terminal S atom from a 1-(4-nitro-phen-yl)thio-urea mol-ecule and a chloride ion as ligands. An intra-molecular N-H⋯Cl hydrogen bond stabilizes the mol-ecular conformation [graph-set mot...

The mol-ecular structure of the title compound, [HgCl2(C3H8N2S)2], has point group symmetry 2, with the twofold rotation axis passing through the Hg(II) atom. The latter is coordinated by two Cl atoms and two N,N'-di-methyl-thio-urea (Dmtu) ligands through their S atoms, defining a distorted tetra-hedral coordination sphere with bond angles in the range 102.47 (4)-118.32 (4)°. Intra- and inter-...