1,212 research outputs found
2-Aminopyrimidinium picrate
The geometric parameters of the title compound, C4H6N3
+·C6H2N3O7
−, are in the usual ranges. While two nitro groups are almost coplanar with the aromatic picrate ring [dihedral angles 3.0 (2) and 4.4 (3)°], the third is significantly twisted out of this plane [dihedral angle 46.47 (8)°]. Anions and cations are connected via N—H⋯O hydrogen bonds. The molecules crystallize in planes parallel to (11)
(2E)-1-(3-Bromophenyl)-3-(6-methoxy-2-naphthyl)prop-2-en-1-one
In the title compound, C20H15BrO2, the prop-2-en-1-one fragment is substantially twisted [C—C—C—O = 23.0 (11)°]. The dihedral angle between the benzene and naphthalene rings is 44.28 (13)°. The only possible directional interactions in the crystal are weak C—H⋯π contacts, which generate (001) sheets
(2E)-3-(1,3-Benzodioxol-5-yl)-1-(3-bromo-2-thienyl)prop-2-en-1-one
In the title molecule, C14H9BrO3S, the the prop-2-en-1-one (enone) fragment is close to planar [C—C—C—O = 2.5 (7)°] and it subtends dihedral angles of 12.5 (3) and 5.3 (4)° with respect to the thiophene and benzene rings, respectively. The dihedral angle between the aromatic ring systems is 12.60 (18)°. Two C—H⋯O interactions help to consolidate the non-centrosymmetic crystal packing, which features undulating (100) sheets incorporating C(11) and C(12) chain motifs
Crystal structure of 3-benzoyl-2-[(5-bromo-2-Hydroxy-3-methoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene
In the cyclohexene ring of the title compound, C23H20BrNO3S, the -(CH2)4- atoms are positionally disordered [occupancy ratio = 0.753 (6):0.247 (6)]. The ring has a half-chair conformation for both the major and minor components. The dihedral angles between the mean plane of the thiophene ring and those of the benzene and phenyl rings are 35.2 (4) and 57.7 (3)°, respectively. The planes of the two aryl rings are twisted with respect to each other by 86.4 (6)°. In the molecule, there is an O-H...N hydrogen bond forming an S(6) ring motif. In the crystal, molecules are linked via C-H...O hydrogen bonds, forming chains parallel to [100].Publisher PDFPeer reviewe
1-[3,5-Bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
In the title compound, C17H14Cl2N2O, the dihedral angles between the pyrazole ring and the mean planes of the benzene and chloro-substituted benzene rings are 75.97 (1) and 16.63 (1)° respectively. In the crystal, two weak C—H⋯O intermolecular hydrogen bonds and π–π stacking interactions [centroid–centroid distances = 3.774 (4) and 3.716 (7) Å] are observed
2-(4-Methylphenyl)benzonitrile
In the title compound, C14H11N, the dihedral angle between the mean planes of the two benzene rings is 44.6 (7)°. The crystal packing is stabilized by weak intermolecular π–π stacking interactions, the centroid–centroid distances being 3.8172 (12) and 3.9349 (12) Å
Kinetics and Mechanism of Oxidation of Phenyl Allyl Alcohol by Sodium N-Chloro-Benzenesulfonamide in Hydrochloric-Acid Medium
Orphenadrinium picrate picric acid
The asymmetric unit of the title compound N,N-dimethyl-2-[(2-methylphenyl)phenylmethoxy]ethanaminium picrate picric acid, C18H24NO+·C6H2N3O7
−·C6H3N3O7, contains one orphenadrinium cation, one picrate anion and one picric acid molecule. In the orphenadrine cation, the two aromatic rings form a dihedral angle of 70.30 (7)°. There is an intramolecular O—H⋯O hydrogen bond in the picric acid molecule, which generates an S(6) ring motif. In the crystal structure, the orphenadrine cations, picrate anions and picric acid molecules are connected by strong intermolecular N—H⋯O hydrogen bonds, π⋯π interactions between the benzene rings of cations and anions [centroid–centroid distance = 3.5603 (9) Å] and weak C—H⋯O hydrogen bonds, forming a three-dimensional network
(2E)-3-(3-Bromophenyl)-1-(4-chlorophenyl)prop-2-en-1-one: a non-merohedral twin
In the title compound, C15H10BrClO, the molecule adopts an E configuration with respect to the C=C double bond and the dihedral angle between the aromatic ring planes is 3.98 (16)°. In the crystal, inversion dimers linked by pairs of C—H⋯O bonds are seen and weak π–π stacking [centroid–centroid separation = 3.8776 (19) Å] may further consolidate the structure. The crystal studied was a non-merohedral twin with a ratio of the twin components of 0.9093 (13):0.0907 (13). The twin operation is a twofold rotation around c*
3,5-Bis(4-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
In the title compound, C21H16F2N2, the dihedral angle between the fluorophenyl groups is 66.34 (8)°, and the dihedral angle between the envelope-configured pyrazole group (N/N/C/C/C) and the benzene ring is 11.50 (9)°. The dihedral angles between the benzene and the two fluoro-substituted phenyl groups are 77.7 (6) and 16.7 (5)°. Weak C—H⋯π interactions contribute to the stability of the crystal structure
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