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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 molecular structure of the title compound, C9H16O4, is described by a trans-planar configuration of the propyl chains. The molecule has an approximate pseudo-twofold rotation axis in the crystal structure. The molecules are interconnected by strong O—H
O hydrogen bonds and form an R22(8) ring structure.
O hydrogen bonds and form an R22(8) ring structure. 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.
)-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
The title compound [alternatively called 3-ethyl 5-methyl 4-(2-chlorophenyl)-2-(2-phthalmidoethoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate or ethyl methyl (4RS)-4-(2-chlorophenyl)-2-({[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]oxy}methyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate], C28H27ClN2O7, is a calcium channel blocker and belongs to the family of anti-anginal and antihypertensive reagents. The dihydropyridine ring adopts an envelope conformation. The molecular conformation is stabilized by an intramolecular N—HO hydrogen bond.
O hydrogen bond. organic compounds
The title compound, C8H7NO2, serves as an intermediate for the synthesis of citalopram. The packing of the planar molecules is stabilized by N—HO and N—HN hydrogen bonds.
O and N—HN hydrogen bonds. 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.
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
The title compound, C22H21ClN4O, is used as an intermediate for the synthesis of biologically active compounds. Geometric parameters are in the usual ranges. The packing is stabilized by O—HN hydrogen bonding.
N hydrogen bonding. organic compounds
The title compound, C16H18N2O2, is a key intermediate for the synthesis of biologically active novel heterocycles, e.g. isoxazolines and isoxazoles. Geometric parameters of the molecule are in the usual ranges. The crystal packing is stabilized by an O—HN hydrogen bond.
N hydrogen bond. organic compounds
The title compound, C33H25BrN4, belongs to the class of substituted tetrazoles. This type of compound is an important starting material for the synthesis of pharmaceutically active materials.
organic compounds
The title compound, C14H16N2, adopts a trans-planar conformation. However, the molecule, which possesses Ci point group symmetry, crystallizes in the non-centrosymmetric space group P212121. In the crystal structure, the molecular symmetry is only approximately retained. The crystal packing is predominantly stabilized by N—HN hydrogen bonds. Weak C—Hπ interactions also contribute to the stability.
N hydrogen bonds. Weak C—Hπ interactions also contribute to the stability.organic compoundsOpen 
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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.
O 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
The geometric parameters of the title compound, C11H10ClNO2, are in the normal ranges. The phthalimide moiety is planar and the chloropropyl chain adopts a synclinal conformation. The crystal packing is stabilized by two intermolecular C—HO contacts.
O contacts. organic compoundsOpen access
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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.
O 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 compoundsOpen access
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The asymmetric unit of the title compound, C16H15NO, comprises two independent molecules (A and B), both adopting a half-boat conformation, or butterfly shape. The intramolecular dihedral angles between the benzene rings in A and B are 64.40 (4) and 65.24 (5)°, respectively.
organic compoundsOpen access
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The structure of the title compound, C15H13NO, has six independent molecules in the asymmetric unit; in each case, the seven-membered ring adopts a boat conformation and the overall molecular shape is that of a butterfly. All molecules display N—HC=C close contacts, instead of N—HO interactions. The intramolecular dihedral angles between the benzene rings are within the range 43.7 (1)–46.4 (1)° for the six molecules.
C=C close contacts, instead of N—HO interactions. The intramolecular dihedral angles between the benzene rings are within the range 43.7 (1)–46.4 (1)° for the six molecules. organic compoundsOpen access
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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
In the title compound, C13H15N3O2S, the geometric parameters are in the normal ranges. The amide N atom is coordinated in an almost trigonal-planar fashion.
