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organic compounds
In the crystal structure of the title compound, 10-oxo-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamide, C15H12N2O2, the azepine seven-membered ring adopts a classical but slightly twisted boat conformation, forcing the molecule to adopt a butterfly shape. In addition to one normal hydrogen bond, two non-standard weak hydrogen bonds of the C—H
O type also contribute to the molecular arrangement in the crystal structure. Stereochemical comparison with phenytoin indicates that oxcarbazepine may utilize the same mechanism for its anticonvulsant activity.
O type also contribute to the molecular arrangement in the crystal structure. Stereochemical comparison with phenytoin indicates that oxcarbazepine may utilize the same mechanism for its anticonvulsant activity. organic compounds
In the crystal structure of 2-phenyl-1,3-propanediol dicarbamate (felbamate), C11H14N2O4, the molecule is in an extended conformation with respect to the phenyl ring. In the crystal structure, the molecules are connected via N—HO hydrogen bonds to form one-dimensional ribbons running along the b axis. Stereochemical and molecular modelling results indicate that the mechanism of the anticonvulsant action of felbamate is likely to differ from that of classical anticonvulsants.
O hydrogen bonds to form one-dimensional ribbons running along the b axis. Stereochemical and molecular modelling results indicate that the mechanism of the anticonvulsant action of felbamate is likely to differ from that of classical anticonvulsants.organic compounds
The crystal structure of 2-methyl-2-phenyl-1,3-propanediol dicarbamate (methylfelbamate), C12H16N2O4, contains two independent molecules in the asymmetric unit. The hydrogen-bonding scheme is three-dimensional and involves interactions of the type N—HO, C—HO and N—H(π-arene). Stereochemical and molecular modelling investigations indicate that the mechanism for anti-epileptic action of the compound is probably different from those of other anticonvulsants.
O, C—HO and N—H(π-arene). Stereochemical and molecular modelling investigations indicate that the mechanism for anti-epileptic action of the compound is probably different from those of other anticonvulsants.organic compounds
In the crystal structure of 2-(1H-imidazol-1-yl)-1-(2-naphthyl)ethanone monohydrate, C15H12N2O·H2O, the naphthalene and imidazole rings are essentially planar and the angle between their planes is 77.05 (11)°. The water molecule connects two nafimidone molecules through O—HN and O—HO hydrogen bonds [HN 1.83 (5) and HO = 2.14 (6) Å], creating centrosymmetric dimer clusters. Weak non-standard hydrogen bonds of the type C—HO [HO 2.53–2.60 Å] also contribute to the crystal packing.
N and O—HO hydrogen bonds [HN 1.83 (5) and HO = 2.14 (6) Å], creating centrosymmetric dimer clusters. Weak non-standard hydrogen bonds of the type C—HO [HO 2.53–2.60 Å] also contribute to the crystal packing.organic compounds
In the crystal structure of the title compound, 2-(1H-imidazol-1-yl)-1-(2-naphthyl)ethanone hemihydrate hemihydrochloride, 2C15H13N2O2·H2O·HCl or C30H25N4O4+·Cl-·H2O, there are two independent molecules of nafimidone in the asymmetric unit. The imidazole and the naphthalene rings in both molecules are planar. The water molecule is hydrogen bonded to Cl- ions. The protonation occurs at the unsubstituted N atom in both molecules, with 50% occupancy, linking the molecules together by hydrogen bonding. A network of weak non-standard hydrogen bonds exists in the crystal structure.
organic compounds
In the crystal structure of the title compound, 3-methyl-1-[2-(2-naphthyloxy)ethyl]-1H-pyrazol-5-ol (nafazatrom, Bay g 6575), C16H16N2O2, the enol form is present rather than the keto form. The pyrazole and naphthalene ring systems are planar and the angle between them is 66.76 (12)°. A strong O—HN hydrogen bond forces the molecules to form ribbons running along the b axis. Partial stacking of the naphthalene rings accounts for distinct hydrophilic and hydrophobic regions in the crystal structure.
N hydrogen bond forces the molecules to form ribbons running along the b axis. Partial stacking of the naphthalene rings accounts for distinct hydrophilic and hydrophobic regions in the crystal structure. organic compounds
In the crystal structure of the title compound, N-benzyl-N-methylprop-2-yn-1-aminium chloride, C11H14N+·Cl−, the asymmetric unit contains two independent enantiomeric cations related by a pseudo-center of symmetry. In both cations, the protonation occurs at the N atom, and the side chains are roughly perpendicular to the benzene rings. In addition to the conventional N—HCl hydrogen bonds, there are several weak hydrogen bonds of the type C—HCl. The cations are arranged head-to-head and tail-to-tail, producing hydrophilic and hydrophobic areas
Cl hydrogen bonds, there are several weak hydrogen bonds of the type C—HCl. The cations are arranged head-to-head and tail-to-tail, producing hydrophilic and hydrophobic areas organic compounds
In the crystal structure of the title compound, N-benzyl-N-methylprop-2-yn-1-aminium chloride, C11H14N+·Cl−, the asymmetric unit contains two independent enantiomeric cations with a pseudo-inversion center between them. In both molecules, the protonation occurs at the N atom, and the side chains are extended in a direction roughly perpendicular to the benzene rings. The molecules are arranged head-to-head and tail-to-tail, producing hydrophilic and hydrophobic regions. In addition to the ordinary N—HCl hydrogen bonds, numerous weak non-standard hydrogen bonds of the type C—HCl also contribute to the crystal packing.
Cl hydrogen bonds, numerous weak non-standard hydrogen bonds of the type C—HCl also contribute to the crystal packing. organic compounds
In the crystal structure of the title compound, C13H18N2O3S, there are two independent molecules in the asymmetric unit. Both molecules have linearly extended conformations, with interplanar angles between the two amide groups of 150.4 (3) and 148.8 (3)°. In addition to the standard N—HO hydrogen bonds, which form infinite molecular chains parallel to the a axis, a host of weak non-standard C—HO bonds and van der Waals contacts contribute to the crystal packing. Although the molecule contains stereochemical features consonant with anticonvulsant properties, steric interference by the ethylsulfinyl group may prevent interactions with receptors.
O hydrogen bonds, which form infinite molecular chains parallel to the a axis, a host of weak non-standard C—HO bonds and van der Waals contacts contribute to the crystal packing. Although the molecule contains stereochemical features consonant with anticonvulsant properties, steric interference by the ethylsulfinyl group may prevent interactions with receptors.organic compounds
In the title compound, C15H14N4S, the outer phenyl ring makes an angle of 101.4 (2)° with the plane through the inner benzene ring, and the planes of the thiadiazole ring and the attached benzene ring intersect at an angle of 146.7 (2)°. In addition to weak N—HN hydrogen bonds, creating a two-dimensional network parallel to the bc plane of the crystal structure, there is also one non-standard hydrogen-bond interaction of the type C—HN. Stereochemical comparison with the closely related compound 1-[5-(biphenyl-2-yl)-1,3,4-thiadiazol-2-yl]methanaminium chloride shows that the two compounds utilize the same mechanism for anticonvulsant activity.
N hydrogen bonds, creating a two-dimensional network parallel to the bc plane of the crystal structure, there is also one non-standard hydrogen-bond interaction of the type C—HN. Stereochemical comparison with the closely related compound 1-[5-(biphenyl-2-yl)-1,3,4-thiadiazol-2-yl]methanaminium chloride shows that the two compounds utilize the same mechanism for anticonvulsant activity.organic compounds
In the title compound, 2-(4-chlorobenzamido)ethanaminium chloride, C9H12ClN2O+·Cl−, both independent cations have linearly extended conformations, with protonation occurring at the terminal N atom. The interplanar angles between the chlorobenzoyl rings and the planar amide groups are 137.6 (3) and 149.3 (5)° for cations A and B, respectively. The cations are N—HO hydrogen-bonded in a head-to-head/tail-to-tail fashion, producing distinct hydrophobic and hydrophilic layers running parallel to [110]. The Cl− anions are hydrogen-bonded to the terminal positively charged –NH3+ groups. Weak C—HCl− interactions further coordinate the Cl− anions. Structural comparison with pargyline, an irreversible MAO-B inhibitor, is presented.
O hydrogen-bonded in a head-to-head/tail-to-tail fashion, producing distinct hydrophobic and hydrophilic layers running parallel to [110]. The Cl− anions are hydrogen-bonded to the terminal positively charged –NH3+ groups. Weak C—HCl− interactions further coordinate the Cl− anions. Structural comparison with pargyline, an irreversible MAO-B inhibitor, is presented.
