The title compound, C(21)H(18)N(2)O(3), exists in the E conformation with respect to the azomethane C=N double bond. The central benzene ring is almost coplanar with one of the substituent benzene rings [dihedral angle = 1.74 (5)°] and is approximately orthogonal to the other benzene ring of the mol-ecule [dihedral angle = 86.61 (7)°]. An intra-molecular O-H⋯N hydrogen bond occurs. The crystal ...

In the title compound, [AgCl(C(24)H(24)N(2))], the terminal phenyl and tetra-methyl-benzene rings [which form a dihedral angle of 87.92 (14)°] make dihedral angles of 59.59 (11) and 83.19 (12)° with respect to the central benzimidazole ring system. The Ag-C and Ag-Cl single-bond lengths are 2.087 (3) and 2.3267 (9) Å. The C-Ag-Cl bond angle is 172.84 (7)°. C-H⋯π inter-actions contribute to the ...

In the title compound, C(13)H(9)Cl(2)NO(3)S, the conformation of the N-H bond in the C-SO(2)-NH-C(O) segment is anti to the C=O bond. The mol-ecule is twisted at the S atom with a torsion angle of 67.5 (3)°. The dihedral angle between the sulfonyl benzene ring and the -SO(2)-NH-C-O segment is 79.0 (1)° and that between the sulfonyl and benzoyl benzene rings is 85.6 (1)°. In the crystal, mol-ecu...

In the title compound, C(14)H(15)NO(2)S, the conformation of the N-C bond in the C-SO(2)-NH-C segment has gauche torsion angles with respect to the S=O bonds. Further, the conformation of the N-H bond is anti to the 3-methyl group in the aniline benzene ring. The mol-ecule is bent at the N atom with a C-SO(2)-NH-C torsion angle of 56.7 (3)°. The dihedral angle between the benzene rings is 83.9 ...

In the title compound, C(15)H(2)F(10)O, the two perfluorinated arene rings are tilted at an angle of 66.08 (5)° with respect to each other. The olefinic double bond adopts an E configuration and the single bond between the olefinic and carbonyl double bonds has an s-trans conformation. The carbonyl group is not in a coplanar alignment with respect to the neighbouring arene ring (0.963 Å from ar...

We extend the McPherson model for silicon-oxygen bond-breakage in a way to capture the impact of the O-Si-O angle fluctuations on the breakage rate. It is shown that the mean rate is more than 5 times higher and its standard deviation is comparable to the nominal rate corresponding to the fixed angle (typical for α-quartz). The mean rate has appeared to grow exponentially with the electric fiel...

in this study, we present the work on the physicochemical interaction between the anti-cancer alkaloidberberine (brb) and dna with the purpose of designing drugs that interact more with dna. molecularmodeling on the complex formed between berberine and dna presented that this complex was undeniablyfully able of participating in the formation of a stable intercalation site. besides, the molecula...

In the title Schiff base, C(15)H(13)Br(2)NO, the benzene and phenyl rings form a dihedral angle of 75.18 (13)°. The N=C bond length of 1.263 (6) Å is shorter than of the N-C bond [1.476 (5) Å], indicating a double bond. In the crystal, there is some pseudosymmetry. This occurs because most of the two mol-ecules are centrosymmetrically related. The mol-ecular structure is stabilized by intra-mol...

In the title compound, C(15)H(20)N(2)O(3), the piperidine ring adopts a chair conformation, although the amide N atom is almost planar (bond angle sum = 359.7°). The mol-ecule adopts an E conformation about the C=N bond, which allows for the formation of an intra-molecular O-H⋯N hydrogen bond. In the crystal, mol-ecules are linked by C-H⋯O inter-ations, resulting in C(6) chains propagating in [...

In the title compound, C(16)H(17)NO(4)S(2), the 2H-chromene ring system is nearly planar, with a maximum deviation of 0.070 (1) Å, and the morpholine ring adopts a chair conformation; the bond-angle sum for its N atom is 357.9°. The dihedral angle between the the 2H-chromene ring and the best plane through the morpholine ring is 89.09 (6)°. An intra-molecular C-H⋯S hydrogen bond occurs. In the ...