Crystal structure of isobutyl 4-(2-chloro-phenyl)-5-cyano-6-{(E)-[(dimethylamino)-methylidene]amino}-2-methyl-4H-pyran-3-carboxylate

The authors thank Dr Babu Varghese, Senior Scientific Officer SAIF, IIT Madras, India, for carrying out the data collection.Peer reviewedPublisher PD

Crystal structures of salen-type ligands 2-[(1E)-({1-(3-chlorophenyl)-2-[(E)-(2-hydroxybenzylidene)amino]propyl}imino)methyl]phenol and 2-[(1E)-({1-(4-chlorophenyl)-2-[(E)-(2-hydroxybenzylidene)amino]propyl}imino)methyl]phenol

The title compounds, C23H21ClN2O2, differ from each other only by the position of the Cl atom on the corresponding benzene ring: meta relative to the central sp3 C atom for (I) and para for (II). In (I), the hydroxyphenyl rings are almost parallel, the dihedral angle between the mean planes being 9.2 (2)°, but in (II), the relative position of the ring is different, characterized by a dihedral angle of 48.5 (1)°. Compound (I) features intramolecular O—H...N and intermolecular C—H...O hydrogen bonds, while in (II), intramolecular O—H...N, C—H...N hydrogen bonds and weak intermolecular C—H...π interactions are observed. Compound (I) was refined as an inversion twin

Methyl ({[(4E)-1,3-dimethyl-2,6-diphenylpiperidin-4-ylidene]amino}oxy)acetate

In the title compound, C22H26N2O3, the piperidine ring exhibits a chair conformation. The phenyl rings attached to the piperidine at the 2- and 6-positions have axial orientations. These rings make a dihedral angle of 49.75 (11)°. The aminooxy acetate group attached at the 4-position has an equatorial orientation. In the crystal, inversion dimers linked by pairs of C—H...π interactions occur

Crystal structure of (E)-1-(4′-methoxy-[1,1′-biphenyl]-4-yl)-3-(3-nitrophenyl)prop-2-en-1-one

The title compound, C22H17NO4, crystallizes with two independent molecules (A and B) in the asymmetric unit. Each molecule exists as an E isomer with C—C=C—C torsion angles of −175.69 (17) and −178.41 (17)° in A and B, respectively. In molecule A, the planes of the terminal benzene rings are twisted by an angle of 26.67 (10)°, while the biphenyl unit is non-planar, the dihedral angle between the rings being 30.81 (10)°. The dihedral angle between the nitrophenyl ring and the inner phenyl ring is 6.50 (9)°. The corresponding values in molecule B are 60.61 (9), 31.07 (8) and 31.05 (9)°. In the crystal, molecules are arranged in a head-to-head manner, with the 3-nitrophenyl groups nearly parallel to one another. The A and B molecules are linked to one another via C—H...O hydrogen bonds, forming chains lying parallel to (-320) and enclosing R22(10) and R22(12) ring motifs. The methoxy group in both molecules is positionally disordered with a refined occupancy ratio of 0.979 (4):0.021 (4) for molecule A and 0.55 (4):0.45 (4) for molecule B

Chemoselective synthesis and spectral studies of <i>N</i>-thiocyanatoacetyl derivatives of 3-alkyl-2,6-diarylpiperidin-4-ones

<p>A series of <i>N</i>–thiocyanatoacetyl derivatives of 3–alkyl–2,6–diarylpiperidin–4–ones has been synthesized by the reaction between the <i>N</i>–chloroacetyl derivatives of the respective piperidin–4–ones and the ambident thiocyanate nucleophile. The synthesized compounds have been characterized through FT–IR, ¹H, ¹³C, ¹H–¹H COSY, ¹H–¹³C COSY and NOESY spectra. The spectral data reveal the conformational priority of the six-membered heterocyclic ring.</p