145 research outputs found
3-Methyl-1,2,4-triazolo[3,4-a]phthalazine monohydrate
In the crystal structure of the title compound, C10H8N4·H2O, the organic molecules are approximately planar [maximum deviation from the least-squares plane = 0.041 (2) Å]. Two molecules are connected by two water molecules via O—H⋯N hydrogen bonding into dimers, which are located around centres of inversion. In the crystal, molecules are stacked in the a-axis direction, with mean distances between the π systems of 3.43 (1) and 3.46 (1) Å [centroid–centroid distances are 3.604 (2) and 3.591 (2) Å]
2-Isopropyl-5-methylcyclohexyl 5-acetoxy-1,3-oxathiolane-2-carboxylate
In the title compound, C16H26O5S, the oxathiolane ring adopts an envelope conformation, with the S atom 0.793 (3) Å out of the mean plane of the remaining four atoms. The cyclohexane ring of the menthol fragment adopts an almost ideal chair conformation, with all substituents in the equatorial positions. In the crystal, relatively strong, short and linear C—H⋯O hydrogen bonds link the molecules into the chains along [100] direction. The chains are packed into the crystal structure by means of weak dispersive interactions. Intermolecular C—H⋯S interactions are also observed
1-(2,5-Dichloro-3-thienyl)ethanone: infinite sheets mediated by O⋯Cl halogen bonds
In the title compound, C6H4Cl2OS, the acetyl group is almost coplanar with the thiophene ring [dihedral angle = 4.01 (2)°]. In the crystal, short intermolecular O⋯Cl contacts [2.9494 (14) and 3.1191 (14) Å] link the molecules into infinite (100) sheets and aromatic π–π stacking [centroid–centroid separation = 3.5422 (10) Å] consolidates the packing
(1E)-1-(3-Bromophenyl)ethanone 2,4-dinitrophenylhydrazone
The title compound, C14H11BrN4O4, contains 3-bromophenyl and 2,4-dinitrophenyl groups on opposite sides of a hydrazone unit and crystallizes with two molecules in the asymmetric unit. The dihedral angles between the two ring systems in each molecule are 2.0 (1) and 2.5 (4)°. Weak C—H⋯O hydrogen bonds and weak π–π stacking interactions [centroid–centroid distance = 3.7269 (14) Å] help to establish the packing. Intramolecular N—H⋯O hydrogen bonds are also observed. On one of the rings, the Br atom is disordered over two equivalent positions of the phenyl ring [occupancy ratio 0.8734 (10):0.1266 (10)
(2E)-1-(2,5-Dichloro-3-thienyl)-3-(6-methoxy-2-naphthyl)prop-2-en-1-one
In the title compound, C18H12Cl2O2S, the dihedral angle between the thiophene ring and the naphthalene ring system is 2.13 (4)°. In the crystal, pairs of weak intermolecular C—H⋯O hydrogen bonds form centrosymmetric dimers
(2E)-1-(3-Bromophenyl)-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-en-1-one
In the title compound, C17H14BrNO5, the dihedral angle between the 3-bromo-substituted benzene ring and the 4,5-dimethoxy-2-nitro-phenyl ring is 15.2 (1)°. The dihedral angles between the mean plane of the propenone group and the mean planes of the 3-bromo-substituted benzene and 4,5-dimethoxy-2-nitrophenyl rings are 6.9 (6) and 20.5 (5)°, respectively. Weak intermolecular C—H⋯O interactions contribute to crystal stability and π–π interactions [centroid–centroid distances = 3.7072 (18) and 3.6326 (18) Å] are also observed
(±)-Ethyl 6-(6-methoxy-2-naphthyl)-4-(4-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate
In the title compound, C27H26O4, the dihedral angle between the naphthalene ring system and the benzene ring is 73.10 (5)°. In the crystal, a weak C—H⋯O interaction occurs. Two C—H groups of the cyclohexene ring are disordered over two sets of sites in a 0.796 (5):0.204 (5) ratio, which corresponds to partial overlap of the two enantiomeric molecules
Ethyl 4-(2,4-dichlorophenyl)-6-(6-methoxy-2-naphthyl)-2-oxocyclohex-3-ene-1-carboxylate
In the title compound, C26H22Cl2O4, the cyclohexenone ring adopts an approximate half-chair conformation, with two C atoms displaced by −0.485 (6) and 0.218 (6) Å from the plane of the other four ring atoms. The dihedral angles between its four almost coplanar [maximum deviation = 0.006 (2) Å] atoms and the benzene and naphthalene ring systems are 59.26 (13) and 79.94 (9)°, respectively. The dihedral angle between the aromatic rings systems is 77.14 (7)°. A short intramolecular C—H⋯Cl contact generates an S(6) ring. In the crystal, molecules are linked by C—H⋯O and C—H⋯Cl interactions to generate a three-dimensional network
(E)-1-(2,5-Dichloro-3-thienyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
In the title compound, C15H12Cl2O3S, the prop-2-en-1-one (enone) fragment is almost planar [C—C—C—O = 2.2 (4)°] and it subtends dihedral angles of 11.9 (2) and 11.0 (2)° with the thiophene and benzene rings, respectively. The dihedral angle between the aromatic rings is 3.47 (16)°. In the crystal, weak C—H⋯O and C—H⋯Cl interactions link the molecules, leading to R
2
2(14), R
2
2(24) and C(11) supramolecular motifs occurring within the three-dimensional network. Weak aromatic π–π stacking [centroid–centroid separations = 3.6823 (15) and 3.8722 (15) Å] may also help to consolidate the packing
(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
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