997 research outputs found
Kinetics and Mechanism of Oxidation of Phenyl Allyl Alcohol by Sodium N-Chloro-Benzenesulfonamide in Hydrochloric-Acid Medium
(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
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
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
(E)-3-(4-Chlorophenyl)-1-(1-naphthyl)prop-2-en-1-one
In the title compound, C19H13ClO, the benzene ring and the naphthalene system, are twisted by 12.3 (3) and 36.1 (2)°, respectively, and in opposite directions with respect to the central propenone bridge. The bond-angle pattern within the benzene ring is influence by both substituents; these influences are almost additive. In the crystal, the molecules are linked by C—H⋯O and C—H⋯Cl interactions
Ethyl N-(2-benzoyl-4-chlorophenyl)ethanecarboximidate
In the title compound, C17H16ClNO2, the N=C—O—C—C fragment is planar within 0.029 (1) Å, and makes dihedral angles of 66.71 (8) and 59.61 (8)° with the planes of the chlorophenyl and benzoyl rings, respectively. The carbonyl C=O bond is not coplanar with either of the aromatic rings; it makes angles of 42.5 and 23.5° with the normals to the ring planes. In the crystal, very weak C—H⋯O, C—H⋯Cl, C—H⋯π and π–π [interplanar distance = 3.53 (1) Å] interactions are observed
3,5-Bis(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
In the title compound, C23H22N2O2, the central pyrazole ring is nearly planar (r.m.s. deviation = 0.046 Å) and it makes a dihedral angle of 18.5 (2)° with the phenyl ring. The dihedral angles between the phenyl and the two methoxy-substituted phenyl rings are 26.2 (2) and 80.6 (2)°. The crystal structure is stabilized by C—H⋯π stacking interactions and weak π–π interactions [centriod–centroid distance = 3.891 (2) Å]
The structures of eleven (4-phenyl)piperazinium salts containing organic anions
Eleven (4-phenyl)piperazinium salts containing organic anions have been prepared and structurally characterized, namely, 4-phenylpiperazin-1-ium 4-fluorobenzoate monohydrate, C10H15N2+·C7H4FO2−·H2O, 1; 4-phenylpiperazin-1-ium 4-bromobenzoate monohydrate, C10H15N2+·C7H4BrO2−·H2O, 3; 4-phenylpiperazin-1-ium 4-iodobenzoate, C10H15N2+·C7H4IO2−, 4; 4-phenylpiperazin-1-ium 4-nitrobenzoate, C10H15N2+·C7H4NO4−, 5; 4-phenylpiperazin-1-ium 3,5-dinitrosalicylate, C10H15N2+·C7H3N2O7−, 6; 4-phenylpiperazin-1-ium 3,5-dinitrobenzoate, C10H15N2+·C7H3N2O6−, 7; 4-phenylpiperazin-1-ium picrate, C10H15N2+·C6H2N3O7−, 8; 4-phenylpiperazin-1-ium benzoate monohydrate, C10H15N2+·C7H5O2−·H2O, 9; 4-phenylpiperazin-1-ium p-toluenesulfonate, C10H15N2+·C7H7O3S−, 10; 4-phenylpiperazin-1-ium tartarate monohydrate, C10H15N2+·C4H5O6−·H2O, 11; and 4-phenylpiperazin-1-ium fumarate, C10H15N2+·C4H3O4−, 12. Compounds 1 and 3–12 are all 1:1 salts with the acid proton transferred to the phenylpiperaizine basic N atom (the secondary amine) with the exception of 3 where there is disorder in the proton position with it being 68% attached to the base and 32% attached to the acid. Of the structures with similar stoichiometries only 3 and 9 are isomorphous. The 4-phenyl substituent in all cases occupies an equatorial position except for 12 where it is in an axial position. The crystal chosen for structure 7 was refined as a non-merohedral twin. There is disorder in 5, 6, 10 and 11. For both 5 and 6, a nitro group is disordered and was modeled with two equivalent orientations with occupancies of 0.62 (3)/0.38 (3) and 0.690 (11)/0.310 (11), respectively. For 6, 10 and 11, this disorder is associated with the phenyl ring of the phenylpiperazinium cation with occupancies of 0.687 (10)/0.313 (10), 0.51 (7)/0.49 (7) and 0.611 (13)/389 (13), respectively. For all salts, the packing is dominated by the N—H⋯O hydrogen bonds formed by the cation and anion. In addition, several structures contain C—H⋯π (1, 3, 4, 8, 9, 10, and 12) and aromatic π–π stacking interactions (6 and 8) and one structure (5) contains a –NO2⋯π interaction. For all structures, the Hirshfeld surface fingerprint plots show the expected prominent spikes as a result of the N—H⋯O and O—H⋯O hydrogen bonds
Methyl 3,5-dibromo-2-diacetylaminobenzoate
The title methyl benzoate compound, C12H11Br2NO4, consists of an ortho-substituted diacetylamino group and meta-substituted Br atoms. The crystal packing is stabilized by weak intermolecular C—H⋯O interactions
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