22 research outputs found

    2-Amino-4-(4-chloro­phen­yl)-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile

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    In the title compound, C17H14ClN5, two C atoms and their attached H atoms of the pyrrolidine ring are disordered over two sets of sites with an occupancy ratio of 0.638 (10):0.362 (10). The benzene and pyridine rings are inclined to one another by 60.57 (8)°. In the crystal, the amino group forms an N—H⋯N hydrogen bond with one of the cyano groups, linking the mol­ecules into chains along [010]

    rac-Diethyl 5-oxo-2-[(2,4,4-trimethyl­pentan-2-yl)amino]-4,5-dihydro­pyrano[3,2-c]chromene-3,4-dicarboxyl­ate

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    The title compound, C26H33NO7, comprises a racemic mixture of asymmetric mol­ecules containing one stereogenic centre. The dihedral angle between the mean planes of the fused pyran ring and the coumarin ring system is 8.12 (14)°. The mol­ecular structure features a short N—H⋯O contact, which generates an S(6) ring motif. The crystal packing are stabilized by C—H⋯O inter­actions

    rac-Dimethyl 2-(tert-butyl­amino)-5-oxo-4,5-dihydro­pyrano[3,2-c]chromene-3,4-dicarboxyl­ate

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    The title compound, C20H21NO7, is asymmetric with a chiral centre located in the pyran ring and crystallizes as a racemate. The mol­ecular framework is somewhat bent; the coumarin moiety and the pyran ring are inclined by 7.85 (5)°. The mol­ecular structure is characterized by an intra­molecular N—H⋯O hydrogen bond, which generates an S(6) ring motif, and the crystal packing is stabilized by inter­molecular C—H⋯O hydrogen bonds. The 3-carboxyl­ate O atom is involved in both of them, having a bifurcated character

    Crystal structures of two stilbazole derivatives: bis{(E)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium} tetraiodidocadmium(II) and (E)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium 4-methoxybenzenesulfonate monohydrate

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    The title molecular salts, (C18H23N2)2[CdI4], (I), and C18H23N2+·C7H7O4S−·H2O, (II), are stilbazole, or 4-styrylpyridine, derivatives. The cation, (E)-4-[4-(diethylamino)styryl]-1-methylpyridin-1-ium, has a methyl group attached to pyridine ring and a diethyl amine group attached to the benzene ring. The asymmetric unit of salt (I), comprises one cationic molecule and half a CdI4 dianion. The Cd atom is situated on a twofold rotation axis and has a slightly distorted tetrahedral coordination sphere. In (II), the anion consists of a 4-methoxybenzenesulfonate and it crystallizes as a monohydrate. In both salts, the cations adopt an E configuration with respect to the C=C bond and the pyridine and benzene rings are inclined to each other by 10.7 (4)° in (I) and 4.6 (2)° in (II). In the crystals of both salts, the packing is consolidated by offset π–π stacking interactions involving the pyridinium and benzene rings, with centroid–centroid distances of 3.627 (4) Å in (I) and 3.614 (3) Å in (II). In the crystal of (II), a pair of 4-methoxybenzenesulfonate anions are bridged by Owater—H...Osulfonate hydrogen bonds, forming loops with an R24(8) motif. These four-membered units are then linked to the cations by a number of C—H...O hydrogen bonds, forming slabs lying parallel to the ab plane

    2-Amino-6-(piperidin-1-yl)-4-p-tolylpyridine-3,5-dicarbonitrile

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    In the title compound, C19H19N5, the piperidine ring adopts a chair conformation. The pyridine ring is essentially planar, with a maximum deviation of 0.039 (2) Å for a C atom substituted with a carbonitrile group. The mean plane of the central pyridine ring makes the dihedral angles of 37.90 (14) and 56.10 (12)° with the piperidine and benzene rings, respectively. In the crystal, molecules are linked via N—H...N and C—H...N hydrogen bonds, forming chains along [101], and enclosing R22(17) ring motifs. The chains are linked by further C—H...N hydrogen bonds, forming two-dimensional networks lying parallel to (10-1), and enclosing inversion dimers with R22(20) ring motifs

    4-(4-Bromophenyl)-7,7-dimethyl-2-methylamino-3-nitro-7,8-dihydro-4H-chromen-5(6H)-one including an unknown solvate

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    In the title compound, C18H19BrN2O4, the chromene unit is not quite planar (r.m.s. deviation = 0.199 Å), with the methyl C atoms lying 0.027 (4) and 1.929 (4) Å from the mean plane of the chromene unit. The six-membered carbocyclic ring of the chromene moiety adopts an envelope conformation, with the dimethyl-substituted C atom as the flap. The methylamine and nitro groups are slightly twisted from the chromene moiety, with C—N—C—O and O—N—C—C torsion angles of 2.7 (4) and −0.4 (4)°, respectively. The dihedral angle between the mean plane of the chromene unit and the benzene ring is 85.61 (13)°. An intramolecular N—H...O hydrogen bond generates an S(6) ring motif, which stabilizes the molecular conformation. In the crystal, molecules are linked via N—H...O hydrogen bonds, forming hexagonal rings lying parallel to the ab plane. A region of disordered electron density, most probably disordered ethanol solvent molecules, occupying voids of ca 432 Å3 for an electron count of 158, was treated using the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148–155]. Their formula mass and unit-cell characteristics were not taken into account during refinement

    rac-Dimethyl 5-oxo-2-[(2,4,4-trimethylpentan-2-yl)amino]-4,5-dihydropyrano[3,2-c]chromene-3,4-dicarboxylate

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    The title compound, C24H29NO7, is asymmetric with a chiral centre located in the pyran ring and crystallizes as a racemate. The coumarin ring system and the fused pyran ring make a dihedral angle of 10.46 (8)°. A short intramolecular N—H...O hydrogen bond between the amino group and the vicinal carbonyl group generates an S(6) ring. Intermolecular C—H...O interactions contribute to the stability of the crystal structure

    1-Ethyl-4′-(1H-indol-3-ylcarbonyl)-1′-methyl-2,2′′-dioxodispiro[indoline-3,2′-pyrrolidine-3′,3′′-indoline]-4′-carbonitrile dimethyl sulfoxide monosolvate

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    In the title compound, C31H25N5O3·C2H6OS, the three indole/indoline units are all essentially planar with maximum deviations of 0.0172 (3), 0.053 (2) and 0.07 (2) Å. The pyrrolidine ring adopts an envelope conformation with the C atoms bearing the 1-ethyl-2-oxoindole substituent (in which the five-membered ring adopts a twisted conformation) as the flap. The dimethyl sulfoxide solvent molecule is disordered over two positions, with an occupancy factor ratio of 0.871 (4):0.129 (4). The solvent components are linked to the heterocyclic molecule via C—H...O and C—H...S hydrogen bonds. In the crystal, the solvent components are linked to the heterocyclic molecule via C—H...O and C—H...S interactions, forming R22(10) ring motifs. The molecules are further connected into a chain along the a-axis direction via N—H...O hydrogen bonds
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