organic compounds
The structure of the title compound, 2-methyl-1-(1,2,3,9-tetrahydro-9-methyl-4-oxo-4H-carbazol-3-ylmethyl)-1H-imidazol-3-ium chloride dihydrate, C18H24N3+·Cl-·2H2O, has been reported previously by Collin, Moureau, Quintero, Vercauteren, Evrard & Durant [(1995). J. Chem. Soc. Perkin Trans. 2, pp. 77-84] and Chandra Mohan & Ravikumar, [(1995), Acta Cryst. C51, 2627-2629]. In both determinations, all atoms were refined as clearly ordered. In contrast to this, we present here a redetermination of this structure from new intensity data where two atoms of the cyclohexenone ring are disordered over two sites. Apart from this disorder, our results agree with the already published data.
organic compounds
The title compound [systematic name: ()-5-({4-[2-(5-ethyl-2-pyridinio)ethoxy]phenyl}methyl)thiazolidine-2,4-dione chloride], C19H21N2O3S+·Cl−, is an oral antidiabetic agent. In the crystal structure, the molecules are linked by N—HCl hydrogen bonds into chains.
organic compounds
Valdecoxib, C16H14N2O3S, is a non-steroidal anti-inflammatory drug containing a planar isoxazole heterocycle which is substituted at the C atoms with two aromatic rings and a methyl group. In addition to one molecule of valdecoxib, there is half a molecule of ethyl methyl ketone in the asymmetric unit of the title compound [systematic name: 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide ethyl methyl ketone hemisolvate], viz. C16H14N2O3S·0.5C4H8O. The crystal packing is stabilized by N—HO hydrogen bonds. Apart from the orientation of the sulfonamide group, the conformation of the title compound agrees well with that of the recently published orthorhombic polymorph which does not contain any solvent.
organic compounds
The title compound, C8H5BrO2, serves as a starting material for the synthesis of citalopram. It crystallizes with two almost identical molecules in the asymmetric unit.
organic compounds
Supramolecular assembly of the title compound, C12H14ClFN2O, is primarily governed by N—H+Cl− and C—HO interactions, and a putative C—HF interaction. The piperidine ring assumes a chair conformation, with the substituted benzisoxazole ring in an equatorial position.
organic compounds
Sildenafil citrate is well known as Viagra for the treatment of erectile dysfuncion. In the title compound (systematic name: 1-{[3-(6,7-Dihydro-1-methyl-7-oxo-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxyphenyl]sulfonyl}-4-methylpiperazinium citrate monohydrate), C22H31N6O4S+·C6H7O7-·H2O, the pyrazolopyrimidone ring system and the benzene ring are almost coplanar, enabling an intramolecular hydrogen bond between the pyrazolopyrimidone NH group and the O atom of the ethoxy group. One of the N atoms of the piperazine ring is protonated and the citrate molecule exists as an anion. The crystal packing is stabilized by several hydrogen bonds.
organic compounds
Open access
The structure of the title compound, C6H13ClNO+·Cl-, comprises a cation with the morpholine ring in the chair conformation, and a single hydrogen-bonding association between the morpholinium NH group and the Cl- anion.
organic compounds
Open access
Molecules of the title compound, C9H15NO3, form a two-dimensional hydrogen-bonded network, via O—HO and N—HO interactions, which runs parallel to the bc plane. In this structure, neither the carboxylic acid groups nor the carbamoyl groups are involved in dimer formations.
organic compounds
Open access
The structure of the title compound, C13H16O4, comprises a non-planar chiral molecule where the cyclohexene double bond is distinctly shorter [1.335 (2) Å] than the neighbouring C-C single bonds (>1.4 Å).
organic compounds
The title compound, C22H20ClN3O, (I), is used as an intermediate for the synthesis of the antihypertensive drug losartan. Bond lengths and angles are unexceptional. The crystal packing is stabilized by one C—HO and one C—HN contact. It is noteworthy that (I) is isomorphous with a closely related compound which differs in having a but-2-enyl chain instead of a butyl chain on the imidazole ring.
organic compounds
Open access
The structure of the title compound, C16H14N2O2, contains a seven-membered ring that adopts a boat conformation, and the overall molecular shape is that of a butterfly. In the packing, the molecules form a convoluted hydrogen-bonded polymer via a typical R22(8) graph-set dimer, between carboxamide groups, and an R22(16) graph-set dimer formed through an interaction between the second carboxamide NH group and an adjacent methoxy O atom (in each molecule). The dihedral angle between the benzene rings is 56.09 (5)°.
organic compounds
The title compound, C14H12ClNO, is used in perfumery, as a catalyst for the polymerization of olefins, and in organic synthesis, especially as a photosensitizer and in the manufacture of dyes. The molecule is essentially planar and has a trans configuration. In this configuration, the Cl and O atoms shield the amino H atom, preventing the formation of an intermolecular hydrogen bond.
organic compounds
In the title compound, 7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione, C15H11ClN2S, the central seven-membered diazepinethione ring adopts a boat conformation. The dihedral angle between the planes of the aromatic rings is 63.7 (1)°. The crystal packing is determined by strong N—HN hydrogen bonds, generating a one-dimensional chain along [001].