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The complete molecule of the title compound, C22H26Si2, is generated by a crystallographic centre of symmetry. The central benzene ring makes a dihedral angle of 26.7 (4)° with the 4-(dimethylsilyl)phenyl ring. There are weak C—H
π interactions in the crystal structure.
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The molecule of the title compound, C22H26Si2, is centrosymmetric. The dihedral angle between the central benzene ring and its phenyl substituents is 67.7 (2)°. The crystal packing is stabilized by van der Waals forces.
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In the structure of the title compound, C17H13BrN4O2S, the dihedral angle between the two benzene rings is 38.5 (1)°; the angle between the 4-bromobenzene and thiadiazole rings is 1.3 (1)°. The conformations of the N—H and C=O bonds are anti with respect to each other. The structure displays intermolecular N—H
O and C—H
O hydrogen bonding, with both interactions leading to inversion dimers.
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The title compound (systematic name: 5,6β-dihydroxy-1α,14α,16β-trimethoxy-4-methyl-7β,8-methylenedioxy-20-ethylaconitan-6-yl acetate acetone monosolvate), C27H41NO8·C3H6O, was isolated from Delphinium bonvalotii Franch, and is a typical C19-diterpenoid alkaloid. The molecule has a lycoctonine carbon skeleton with four six-membered rings and three five-membered rings. Three six-membered rings adopt the chair conformations while the fourth adopts a boat conformation, while the five-membered rings have the envelope conformations. The solvent molecule links with the organic molecule via a classical O—H
O hydrogen bond. Weak C—H
O hydrogen bonding is present in the structure. An intramolecular O—H
O hydrogen bond also occurs.
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The title molecule, C20H24O2, shows a Z configuration with respect to the C=C double bond. The crystal structure is stabilized by intra- and intermolecular O—H
O hydrogen bonds.
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The title compound, C20H18, contains four approximately coplanar fused rings: three six- and one five-membered. In the crystal structure, molecules form columnar stacks along the a axis. Molecules in adjacent stacks along the [010] direction are oriented approximately perpendicular to each other, with a dihedral angle of 81.38 (3)°. There is a short intermolecular C—H
C contact of 2.72 Å between a methyl group and an aromatic ring.
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In the title compound, C20H17ClN4O2S, the dihedral angle between the two benzene rings is 65.9 (1)°; the corresponding angle between the 4-chlorophenyl and thiadiazole rings is 3.4 (8)°. The conformations of the N—H and C=O bonds are anti with respect to each other. The enone groups show a trans configuration. The structure displays intermolecular N—H
O, C—H
N, C—H
S and C—H
O hydrogen bonding.
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The title compound (delgradine), C41H43NO12, is a hetisine-type C20-diterpenoid alkaloid, isolated from the roots of Aconitum carmichaeli Debx. In the crystal structure, the molecule assumes an U-shaped conformation, the terminal benzene rings being approximately parallel and partially overlapped with each other. The molecule contains eight alicyclic and heterocyclic rings. Cyclohexane rings A and B adopt similar chair conformations; the six-membered rings C, D and E form a bicyclo[2.2.2]octane system with a boat conformation for each six-membered ring, the six-membered heterocyclic ring F has a screw-boat conformation and both of the five-membered rings G and H have envelope conformations. The crystal structure contains intermolecular O—H
O hydrogen bonding.
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The asymmetric unit of the title compound, C21H20N4O3S, contains two independent molecules. The dihedral angles between the two benzene rings are 47.6 (1) and 30.2 (1)°, the corresponding values between the p-methoxybenzene and thiadiazol rings are 12.3 (1) and 24.7 (1)°, respectively, for the two molecules. The conformations of the N—H and C=O bonds are anti with respect to each other. The enone groups show a trans configuration. The crystal structure is stabilized by N—H
O and N—H
N interactions. The absolute structure could not be determined from the X-ray data but the absolute configuration has been assigned by reference to an unchanging chiral centre in the synthetic procedure.
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The title compound, C15H22O4, obtained from the dehydration of dihydroartemisinin, has retained the endoperoxide bridge of the parent compound along with the C=C bond. The six-membered rings exhibit chair, twist-boat and envelope conformations.
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In the title complex, [Cd(C8H9N2O4)2(H2O)2]·3.5H2O, the CdII is coordinated by two water molecules and N,O-chelated by two 5-carboxy-2-propyl-1H-imidazole-4-carboxylate anions in a distorted octahedral geometry. The two imidazole rings are oriented to each other with a dihedral angle of 75.1 (2)°. Strong O—H
O hydrogen bonds between protonated and deprotonated carboxylate groups occur in the molecular structure. In the crystal structure extensive O—H
O and N—H
O hydrogen bonds help to stabilize the three-dimensional supramolecular framework. The propyl groups of anions are disordered over two sites with refined occupancies of 0.768 (6):0.232 (6) and 0.642 (8):0.358 (8).
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In the title complex, [Zn(C8H9N2O4)2(H2O)2]·3.5H2O, the ZnII ion is coordinated by two N,O-bidentate H2pimda ligands (H3pimda = 2-propyl-1H-imidazole-4,5-dicarboxylic acid) and two water molecules in a distorted octahedral environment. In the crystal structure, extensive intermolecular O—H
O and N—H
O hydrogen bonds stabilize the three-dimensional supramolecular network. Intramolecular O—H
O hydrogen bonds between the carboxyl groups are also observed. The propyl groups of the two H2pimda ligands are disordered each over two sites, with occupancy factors of 0.752 (5):0.248 (5) and 0.519 (7):0.481 (7). One of the water molecules is half-occupied.
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In the title complex, [Mn(C8H9N2O4)2(H2O)2]·3.5H2O, the MnII cation is six-coordinated by two N,O-bidentate H2pimda− ligands (H2pimda− = 5-carboxy-2-propyl-1H-imidazole-4-carboxylate) and two water molecules in a distorted octahedral environment. The complete solid-state structure can be described as a three-dimensional supramolecular framework stabilized by a wide range of O—H
O and N—H
O hydrogen bonds. The propyl groups of H2pimda− are disordered over two sets of sites with refined occupancies of 0.759 (5):0.241 (5) and 0.545 (7):0.455 (7).
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The title compound, [Ag(C8H10NO3S)(H2O)]·H2O, has a mononuclear structure in which the Ag+ cation is two-coordinated by one N atom from a 2-amino-4,5-dimethylbenzenesulfonate anion and one water O atom in a nearly linear arrangement. A network of O—H
O and N—H
O hydrogen bonds helps to consolidate the crystal packing.
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In the title compound, C14H16ClN3O2S, the dihedral angle between the 4-chlorophenyl and 1,3,4-oxadiazole rings is 67.1 (1)° and the orientation of the amide N—H and C=O bonds is anti. In the crystal, molecules are linked by N—H
O and N—H
S hydrogen bonds.
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Two racemic pairs of stereoisomers of the title compound, C17H22O8, were characterized by single-crystal X-ray analysis. Compound (Ia) has an r-1,2-cis, 3-trans configuration, while (Ib) has an r-1,2-cis, 3-cis configuration. The five-membered tetrahydrofuran rings of both isomers adopt envelope conformations with the substituted β-C atom as the flap.
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The title compound, C30H46O9, prepared from a mixture of α- and β-dihydroartemisinin, has α- and β-arteether moieties linked via an –O– bridge, so that the molecule is asymmetric about the bridge. The endoperoxide bridges of the parent compounds have been retained in each half of the ether-bridged dimer. The rings exhibit chair and twist–boat conformations.
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