the internal structure of a molecule can be presented in terms of intra-molecular (i.e., inter atomic)and inter-molecular energies such as van der waals, bond and bending, torsion, and inversion energy.in this study, changes in molecular energies of individual asphalt components are evaluated as afunction of physical aging factors. the factors for physical aging such as temperature and pressure...

In the title compound, C(14)H(13)NOS, the dihedral angle formed by the mean planes through the indane ring system and the thio-phene ring is 85.04 (11)°. The imine bond is located in the thio-phene plane [the S-C-C-N torsion angle is 0.00 (3)°] and an intra-molecular O-H⋯N hydrogen bond is observed.

Abstract In Section 1, we give exact solutions in terms of torsion angle for five canonical conformations of cyclooctane (crown, boat, and chair). These conformations are derived using fixed bond angle, fixed bond length, and methods from distance geometry. In Section 2, we show that the cyclooctane conformation topology observed using torsion angles can also be seen in ring puckering coordinates.

In the title compound, C(11)H(9)ClN, the dihedral angle between the aromatic ring planes is 44.2 (1)° and the bridging C-N-C bond angle is 127.60 (19)°. The amino N-H grouping makes a hydrogen bond to the pyridyl N atom of an adjacent mol-ecule across a center of inversion, generating a hydrogen-bonded dimer.

In the title compound, C(24)H(30)ClN(3)O(2), the dihedral angle between the benzene and pyrazole rings is 56.86 (7)°. The C=C bond is significantly twisted, as indicated by the dihedral angle of 12.26 (1)° between the two sets of three atoms linked by the double bond.

The title compound, C(40)H(56)Cl(2)Si(4), was synthesized by the coupling of 1,1-di-tert-butyl-1,2-dichloro-2,2-diphenyl-disilane with lithium. The asymmetric unit contains one half-mol-ecule, which is completed by an inversion centre. In the mol-ecule, the tetra-silane skeleton adopts a perfect anti conformation and the Si-Si bonds [2.4355 (5) and 2.4328 (7) Å] are longer than the standard Si-...

New Schiff-base compound (E)-4-methoxy-N-(4-hydroxybenzylidene) aniline has been synthesized from the reaction of 4-hydroxybenzaldehyde with 4-methoxyaniline in methanol at 50ºC, and has been characterized by using elemental analysis and FT-IR spectroscopy. The crystal structure of the title compound has been determined by single crystal X-ray diffraction study. The title compound crystallizes ...