Pale-yellow crystals of the title compound, C(10)H(9)NO, have been obtained by the reaction of benzyl-amine and methyl propiolate. Weak inter-molecular hydrogen bonding is observed between acetyl-enic H and carbonyl O atoms. The crystal packing is stabilized by these C-H⋯O and by N-H⋯O inter-molecular hydrogen-bonding inter-actions.

This paper examines the topological properties of protein disulfide bonding patterns. First, a description of these patterns in terms of partially directed graphs is developed. The topologically distinct disulfide bonding patterns available to a polypeptide chain containing n disulfide bonds are enumerated, and their symmetry and reducibility properties are examined. The theoretical probabiliti...

The title compound, C(9)H(8)N(4)S·C(3)H(7)NO, adopts an E configuration about both the C=N and C-N bonds. Inter-molecular N-H⋯O hydrogen bonding links the compound to the DMF solvent molecule. The crystal packing is characterized by chains of mol-ecules linked by inter-molecular N-H⋯S hydrogen-bonding inter-actions.

Understanding the nature of H-bonding interactions is essential to modern sciences, such as biology, chemistry, and physics. Using density functional theory calculations, herein, we have identified two unique types existing in a single sheet mixed water–hydroxyl phase on close-packed metal surfaces, sharp contrast conventional H-bonds liquid water ices. Interestingly, shallow show reduced elect...

Hydrogen bonding (H-bonding) is generally thought to play an important role in tuning the electronic structure and reactivity of metal-sulfur sites in proteins. To develop a quantitative understanding of this effect, S K-edge X-ray absorption spectroscopy (XAS) has been employed to directly probe ligand-metal bond covalency, where it has been found that protein active sites are significantly le...

Inter- and intra- molecular hydrogen bonding plays important role in determining molecular structure, physical and chemical properties, which may be easily ignored for molecules with a non-typical hydrogen bonding structure. We demonstrated in this paper that the hydrogen bonding is responsible for the different Raman spectra in solid and solution states of p-Nitrothiophenol (PNTP). The consist...

The crystal structure of the title compound, C(14)H(17)NO(2), solved and refined against synchrotron diffraction data, contains one formula unit in an asymmetric unit. In the crystal, mol-ecules form right-handed helices located at the 2(1) screw axis parallel to the a-axis direction, generated by O-H⋯N hydrogen bonding between the hy-droxy group and carbonitrile group of an adjacent mol-ecule.

The title compound, C15H24O2 [systematic name: (4S,4aR,6R,8aR)-4a-hy-droxy-4,8a-dimethyl-6-(prop-1-en-2-yl)octahydro-naphthalen-1(2H)-one], features two edge-shared six-membered rings with the hydroxyl and methyl substituents at this bridge being trans. One adopts a flattened chair conformation with the C atoms bearing the carbonyl and methyl substituents lying 0.5227 (16) and 0.6621 (15) Å, re...

In the title compound, C(18)H(22)N(2)O(3), the dihedral angle between the aromatic rings is 3.9 (2)°. Both H atoms of the hy-droxy groups are involved in inter-molecular O-H⋯O hydrogen bonding. In the crystal structure, this hydrogen bonding assembles mol-ecules into chains of 2(1) symmetry extending parallel to the b axis. The almost planar (within 0.09 and 0.06 Å) 4-CH(3)O-C(6)H(4)-CH=N-C(6)H...

In the title compound, C(10)H(9)ClN(4)OS, an intra-molecular N-H⋯O hydrogen-bonding inter-action and an N-H⋯N inter-action generate ring motifs [graph sets S(6) and S(5), respectively]. In the crystal, mol-ecules form a chain through N-H⋯O hydrogen bonds, and these are extended by N-H⋯S hydrogen-bonding inter-actions into an infinite three-dimensional network. The crystal structure also exhibit...