41 research outputs found
Crystal structure of N-[(2-hydroxy-naphthalen-1-yl)(4-methylphenyl)- Methyl]acetamide
Peer reviewedPublisher PD
Trimethyl(triphenylmethoxy)silane
In the title molecule, C22H24OSi, the Si—O—C angle is 139.79 (11)°, the O—C—C angles of the triphenylmethoxy group are in the range 106.13 (13)–109.22 (14)° and the O—Si—C angles of the trimethylsilyloxy group are in the range 103.08 (10)–113.53 (10)°. In the crystal, face-to-face π–π interactions are observed between the phenyl rings [centroid separation = 4.194 (1) Å, interplanar spacing = 3.474 Å and centroid shift = 2.35 Å]. The three phenyl groups of the triphenylmethyl substituent are mutually nearly perpendicular, with dihedral angles in the range 80.49 (8)–81.53 (8)°. There are only weak intermolecular van der Waals interactions in the crystal
3-(4-Chloroanilino)-5,5-dimethylcyclohex-2-en-1-one
The asymmetric unit of the title compound, C14H16ClNO, contains two independent molecules, both with the cyclohexene ring in a sofa conformation. In the crystal, N—H⋯O hydrogen bonds link the molecules related by translation along the a axis into two crystallographically independent chains. Weak C—H⋯π interactions are also observed
2-Methylxanthen-9-one
In the title compound, C14H10O2, the tricycle is not planar, being bent with a dihedral angle of 4.7 (1)° between the two benzene rings. In the crystal, π–π interactions between the six-membered rings of neighbouring molecules [centroid–centroid distances = 3.580 (3) and 3.605 (3) Å] form stacks propagating along [101]
(E)-4-(4-Methoxyphenyl)but-3-en-2-one
In the title compound, C11H12O2, the dihedral angle between the benzene ring and the but-3-en-2-one group is 4.04 (5)°. The crystal packing features chains, parallel to [-101], composed of dimers connected by weak C—H⋯O interactions.
Synthesis, FT-IR, UV-VIS, DFT studies and SCXRD structure of 1-(tert-butyl) 3-ethyl-3-(hydroxy(thiophen-2-yl)methyl)piperidine-1,3-dicarboxylate
1043-1056The crystal structure of 1-(tert-butyl) 3-ethyl 3-(hydroxy(thiophen-2-yl)methyl)piperidine-1,3-dicarboxylate (C18H25NO5S) I has been determined by Single Crystal X-ray Diffraction (SCXRD) techniques. It crystallizes in the orthorhombic space group Pca21 with unit cell parameters a = 19.4502(13)Å, b= 6.3571(4)Å, c= 15.2577(10) Å and number of molecules per unit cell, z = 4. The intensity data have been collected at room température (293 K) and the structure has been solved by direct methods. The full matrix least-squares refinement has converged the final R-value to 0.035 for 2251 observed reflections. The piperidine ring adopts a chair conformation. The structure is stabilized by two C–H…O (intermolecular interactions) and five C–H…O (intramolecular interactions). The structural and spectral studies of 1-(tert-butyl) 3-ethyl 3-(hydroxy(thiophen-2-yl)methyl)piperidine-1,3-dicarboxylate have been carried out by using both experimental and quantum chemical techniques
Synthesis, FT-IR, UV-VIS, DFT studies and SCXRD structure of 1-(tert-butyl) 3-ethyl-3-(hydroxy(thiophen-2-yl)methyl)piperidine-1,3-dicarboxylate
The crystal structure of 1-(tert-butyl) 3-ethyl 3-(hydroxy(thiophen-2-yl)methyl)piperidine-1,3-dicarboxylate (C18H25NO5S) I has been determined by Single Crystal X-ray Diffraction (SCXRD) techniques. It crystallizes in the orthorhombic space group Pca21 with unit cell parameters a = 19.4502(13)Å, b= 6.3571(4)Å, c= 15.2577(10) Å and number of molecules per unit cell, z = 4. The intensity data have been collected at room température (293 K) and the structure has been solved by direct methods. The full matrix least-squares refinement has converged the final R-value to 0.035 for 2251 observed reflections. The piperidine ring adopts a chair conformation. The structure is stabilized by two C–H…O (intermolecular interactions) and five C–H…O (intramolecular interactions). The structural and spectral studies of 1-(tert-butyl) 3-ethyl 3-(hydroxy(thiophen-2-yl)methyl)piperidine-1,3-dicarboxylate have been carried out by using both experimental and quantum chemical techniques