1,006 research outputs found
1,1-Diethyl-3-(4-methoxybenzoyl)thiourea
In the title compound, C13H18N2O2S, the 4-methoxybenzoyl fragment is approximately planar [maximum deviation = 0.057 (2) Å] and twisted relative to the thioamide fragment, forming a dihedral angle of 86.62 (6)°. The two Csp
2—Nsp
2 bonds in the thiourea unit differ significantly in length [1.327 (2) and 1.431 (2) Å]. In the crystal, N—H⋯O hydrogen bonds link the molecules into chains parallel to [010]
1-Benzoyl-3-ethyl-3-phenylthiourea
In the title compound, C16H16N2OS, the conformation at the two partially double C—N bonds of the thiourea unit is E. The amide group is twisted relative to the thiourea fragment, forming a dihedral angle of 62.44 (16)°, and the two phenyl rings form a dihedral angle 75.93 (18)°. In the crystal, molecules are linked by N—H⋯S hydrogen bonds, forming centrosymmetric dimers
N-(Pyrrolidin-1-ylcarbothioyl)benzamide
In the title compound, C12H14N2OS, the pyrrolidine ring adopts an envelope conformation with the C atom at the 3-position as the flap and makes a dihedral angle of 65.80 (9)° with the benzene ring. In the crystal, N—H⋯O hydrogen bonds join c-glide related molecules into chains extended along [001] that are further connected into (100) layers via C—H⋯O interactions
4-tert-Butyl-3′,4′-bis(4-methylphenyl)-3,4-dihydro-1H,4′H-spiro[naphthalene-2,5′-[1,2]oxazol]-1-one
In the title compound, C30H31NO2, the cyclohexanone ring in the naphthalene fused-ring system adopts a half-chair conformation, presumably due to conjugation of the benzene ring. The naphthalene ring system makes dihedral angles of 86.63 (7), 65.15 (8) and 63.18 (8)° with respect to the two methylbenzene planes and the 1,2-oxazole ring system. Intermolecular C—H⋯O and C—H⋯N hydrogen bonding and C—H⋯π interactions stabilize the crystal structure. The H atoms of the two methyl groups of the methylphenyl groups are disordered over two positions with equal occupancies
1-Ethyl-1-methyl-3-(2-nitrobenzoyl)thiourea
In the title compound, C11H13N3O3S, the benzene ring is twisted relative to the amidic fragment, forming a dihedral angle of 27.26 (9)°. The thiono and carbonyl groups are trans with respect to the C—N bond. Intermolecular N—H⋯S and C—H⋯O hydrogen bonds link the molecules in the crystal structure
3-Ethyl-6-{1-[4-(2-methylpropyl)phenyl]ethyl}-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole
In the molecule of the title compound, C17H22N4S, the triazolothiadiazole ring system is essentially planar and forms a dihedral angle of 74.34 (6)° with the benzene ring. In the crystal structure, molecules are linked into chains running along the b axis by C—H⋯π interactions; adjacent chains are cross-linked via C—H⋯N hydrogen bonds and short S⋯N contacts [3.2694 (14) and 3.2953 (14) Å]
2-Amino-N-(2-benzyloxy-3-methoxybenzylidene)aniline
The title compound, C21H20N2O2, a Schiff base ligand, contains two independent molecules (A and B) in the asymmetric unit, with similar conformations. In molecule A, the central benzene ring forms dihedral angles of 30.79 (13) and 23.56 (13)°, respectively, with the amino and benzyl benzene rings, while in molecule B these angles are 32.30 (13) and 13.13 (12)°. The molecular structure is stabilized by intramolecular N—H⋯N and C—H⋯O hydrogen bonds. The crystal structure is stabilized by N—H⋯N hydrogen bonds and N—H⋯π and C—H⋯π interactions
(2E)-4-tert-Butyl-2-(4-methoxybenzylidene)-3,4-dihydronaphthalen-1(2H)-one
In the title compound C22H24O2, the exocyclic C=C double bond is in an E configuration and the tert-butyl group is in an axial position on the cyclohexanone ring. The cyclohexanone ring in the dihydronaphthalene fused-ring system adopts a half-chair conformation in both independent two molecules in the asymetric unit. The benzene ring system is oriented angles of 43.97 (12) and 39.24 (12)° with respect to the naphthyl ring system in the two independent molecules. In the crystal, molecules are linked via C—H⋯O hydrogen bonds and C—H⋯π interactions
2-[1-(2-Hydroxy-3-methoxybenzyl)-1H-benzimidazol-2-yl]-6-methoxyphenol monohydrate
The asymmetric unit of the title compound, C22H20N2O4·H2O, comprises a substituted benzimidazole molecule and a water molecule of crystallization. The dihedral angles between the benzimidazole ring system and the two outer benzene rings are 16.54 (4) and 86.13 (4)°. The dihedral angle between the two hydroxy-substituted benzene rings is 82.20 (5)°. In the crystal structure, intermolecular O—H⋯O hydrogen bonds, involving the hydroxy groups and water molecules, form R
4
4(8) ring motifs, and link symmetry-related molecules into extended chains along the c axis. The crystal structure is further stabilized by weak intermolecular C—H⋯O hydrogen bonds, weak C—H⋯π and π–π stacking [centroid–centroid = 3.6495 (6)–3.7130 (6) Å] interactions. Intramolecular O—H⋯O and O—H⋯N interactions are also present
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