The title mol-ecule, C(14)H(11)BrClNO, adopts a trans configuration with respect to the C=N double bond. The dihedral angle between the two aromatic rings is 70.4 (5)°. An intra-molecular O-H⋯N hydrogen bond is observed between the hydroxyl and imine groups.

In the title mol-ecule, C19H20O6, the conformation about the C=C bond of the central enone group is E. The dihedral angle formed by the benzene rings is 11.6 (2)°. The hy-droxy group is involved in an intra-molecular O-H⋯O hydrogen bond. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into chains along [010].

In the title Schiff base compound, C(14)H(10)ClN(3)O(4), the mol-ecule adopts an E geometry with respect to the C=N bond and an intra-molecular O-H⋯N hydrogen bond is present. The benzene rings form a dihedral angle of 73.4 (2)°. In the crystal, inversion dimers linked by pairs of N-H⋯O hydrogen bonds occur.

We study jamming in model freely rotating polymers as a function of chain length N and bond angle θ_{0}. The volume fraction at jamming ϕ_{J}(θ_{0}) is minimal for rigid-rodlike chains (θ_{0}=0), and increases monotonically with increasing θ_{0}≤π/2. In contrast to flexible polymers, marginally jammed states of freely rotating polymers are highly hypostatic, even when bond and angle constraints...

Chain Fold It is a usual way to tabulate the torsion (dihedral) angles for each residue to reconstruct protein structure using standard covalent bond length and angles. The backbone can be further represented by virtual bond between Cα-atoms. The mainchain is fully described by the virtual dihedral angle αi defined by four successive Cα atoms and the virtual bond angle. This description is used...

In the title compound, C(13)H(9)ClN(2)O(5)S, the N-C bond in the C-SO(2)-NH-C segment has a gauche torsion with respect to the S=O bonds. The conformation between the N-H bond and the ortho-nitro group in the sulfonyl benzene ring is syn, and that between the C=O and the meta-Cl atom in the benzoyl ring is anti. The mol-ecule is twisted at the S-N bond, with a torsion angle of 65.41 (38)°. The ...

In the structure of the title compound (N3MP2MBA), C(15)H(15)NO, the conformation of the N-H bond is anti to the meta-methyl substituent in the aniline ring and that of the C=O bond is syn to the ortho-methyl substituent in the benzoyl ring, while the conformations of the N-H and C=O bonds are anti to each other. The bond parameters in N3MP2MBA are similar to those in 2-methyl-N-phenyl-benzamid...

The title compound, C(18)H(24)I(2), has an adamantanoid structure with tetra-hedral cages having four C atoms lying on the same plane [(I-)C-C-C-C(-I) torsion angle = 0°]. The plane is extended by the two I atoms, each having a deviation of 1.0 (6) Å [C-C-C-I torsion angle = 178.9 (4)°]. The central C-C bond connecting the two quaternary carbons seems enlarged [1.593 (9) Å] in comparison to the...

In the title salt, C(26)H(29)N(2) (+)·Br(-), which may serve as a precursor for N-heterocyclic carbenes, the imidazolidine ring adopts a twist conformation with a pseudo-twofold axis passing through the N-C-N carbon and the opposite C-C bond. The N-C-N bond angle [113.0 (4)°] and C-N bond lengths [1.313 (6) and 1.305 (6) Å] confirm the existence of strong resonance in this part of the mol-ecule...

There are significant twists in the title compound, C(16)H(15)N(3)O(2), as seen in the dihedral angle between the benzene and adjacent but-2-enal group [29.26 (4)°] and between the pyridine ring and amide group [24.79 (6)°]. A twist is also evident around the hydrazine bond [the C-N-N-C torsion angle is -138.25 (13)°]. The conformation about the ethene bond is Z. An intra-molecular N-H⋯O hydrog...