71 research outputs found

    (Z)-3-(1-Benzofuran-2-yl)-2-(3,4,5-tri­meth­oxy­phen­yl)acrylonitrile

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    In the title compound, C20H17NO4, the double bond of the acrylonitrile group separating the 1-benzofuran moiety from the 3,4,5-trimeth­oxy­phenyl ring has Z geometry. The 1-benzofuran groups are π–π stacked with inversion-related counterparts such that the furan ring centroid–centroid distance is 3.804 (5) Å. The dihedral angle between the planes of the trimeth­oxy­phenyl ring and the acrylonitrile group is 24.2 (2)°

    (Z)-3-(1H-Indol-3-yl)-2-(3,4,5-tri­methoxy­phen­yl)acrylonitrile

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    In the title compound, C20H18N2O3, the C=C bond of the acrylonitrile group that links the indole and the 3,4,5-trimeth­oxy­phenyl rings has Z geometry, with dihedral angles between the plane of the acrylonitrile unit and the planes of the benzene and indole ring systems of 21.96 (5) and 38.94 (7)°, respectively. The acrylonitrile group is planar (r.m.s. deviation from planarity = 0.037 Å). Mol­ecules are linked into head-to-tail chains that propagate along the b-axis direction by bifurcated N—H⋯O inter­molecular hydrogen bonds, which form an R 1 2(5) motif between the indole NH group and the two meth­oxy O atoms furthest from the nitrile group

    3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)-3-hydr­oxy-1-phenyl­indolin-2-one ethanol solvate

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    In the title compound, C18H16N4O3·C2H5OH, mol­ecules are linked into chains by a series of inter­molecular N—H⋯O, N—H⋯N and O—H⋯O hydrogen bonds which stabilize the crystal structure. The indole and creatinine units make a dihedral angle of 56.45 (4)°. The title compound has two chiral centres. The crystal structure indicates the compound is racemic (RR and SS)

    3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)-5-fluoro-3-hydr­oxy-1-methyl­indolin-2-one methanol hemisolvate

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    In the title compound, C13H13FN4O3·0.5CH3OH, mol­ecules are packed in the crystal structure by a series of O—H⋯N, N—H⋯O, N—H⋯F and O—H⋯O inter­molecular hydrogen bonds. The indole and creatinine units make a dihedral angle of 60.80 (4)°

    (Z)-Methyl 4-({3-[(2,5-dioxoimidazolidin-4-yl­idene)meth­yl]-1H-indol-1-yl}meth­yl)benzoate

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    In the title compound, C21H17N3O4, pairs of mol­ecules form a planar[maximum deviation 0.0566 (9) Å] centrosymmetric imidazole dimer via two N—H⋯O hydrogen bonds. These dimeric units are linked by further N—H⋯O hydrogen bonds between the ester carbonyl group and the imidazolidine ring, formiing chains parallel to the c-axis direction. In addition, there are π–π stacking inter­actions between the planar imidazole pairs, with an inter­planar spacing of 3.301 (2) Å. There is a double bond with Z geometry connecting the imidazolidine and indole units

    Crystal Structure of (\u3cem\u3eE\u3c/em\u3e)-13-(pyrimidin-5-yl)parthenolide

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    The title compound, C19H22N2O3, {systematic name (1aR,4E,7aS,8E,10aS,10bR)-1a,5-dimethyl-8-[(pyrimidin-5-yl)­methylid­ene]-2,3,6,7,7a,8,10a,10b-octa­hydro­oxireno[2′,3′:9,10]cyclo­deca­[1,2-b]furan-9(1aH)-one} was obtained from the reaction of parthenolide [systematic name (1aR,7aS,10aS,10bR,E)-1a,5-dimethyl-8-methyl­ene-2,3,6,7,7a,8,10a,10b-octa­hydro­oxireno[2′,3′:9,10]cyclodeca­[1,2-b]furan-9(1aH)-one] with 5-bromo­pyrimidine under Heck reaction conditions, and was identified as an E isomer. The mol­ecule possesses ten-, five- (lactone) and three-membered (epoxide) rings with a pyrimidine group as a substituent. The ten-membered ring displays an approximate chair–chair conformation, while the lactone ring shows a flattened envelope-type conformation. The dihedral angle between the pyrimidine moiety and the lactone ring system is 29.43 (7)°

    (E,E)-1-Methyl-2,6-distyrylpyridinium iodide

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    In the title compound, C22H20N+·I−, the dihedral angles between the central pyridine ring and two outer benzene rings are 15.30 (10) and 11.82 (11)°. There are inter­molecular π–π stacking inter­actions between the nearest phenyl ring over an inversion-related pyridyl ring, the shortest centroid–centroid distance being 3.672 (3) Å. The crystal structure of the compound indicates the 2,6-distyryl substituents have an E configuration

    Crystal Structure of 4,5-bis-(3,4,5-trimethoxyphenyl)-2\u3cem\u3eH\u3c/em\u3e-1,2,3-triazole methanol monosolvate

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    The title compound, C20H23N3O6·CH3OH, was synthesized by [3 + 2] cyclo­addition of (Z)-2,3-bis­(3,4,5-tri­meth­oxy­phen­yl)acrylo­nitrile with sodium azide and ammonium chloride in DMF/water. The central nitro­gen of the triazole ring is protonated. The dihedral angles between the triazole ring and the 3,4,5-tri­meth­oxy­phenyl ring planes are 34.31 (4) and 45.03 (5)°, while that between the 3,4,5-tri­meth­oxy­phenyl rings is 51.87 (5)°. In the crystal, the mol­ecules, along with two methanol solvent mol­ecules are linked into an R 4 4(10) centrosymmetric dimer by N—H⋯O and O—H⋯N hydrogen bonds

    Comparison of Crystal Structures of 4-(benzo[\u3cem\u3eb\u3c/em\u3e]thiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2\u3cem\u3eH\u3c/em\u3e-1,2,3-triazole and 4-(benzo[\u3cem\u3eb\u3c/em\u3e]thiophen-2-yl)-2-methyl-5-(3,4,5-trimethoxyphenyl)-2\u3cem\u3eH\u3c/em\u3e-1,2,3-triazole

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    The title compound, C19H17N3O3S (I), was prepared by a [3 + 2]cyclo­addition azide condensation reaction using sodium azide and l-proline as a Lewis base catalyst. N-Methyl­ation of compound (I) using CH3I gave compound (II), C20H19N3O3S. The benzo­thio­phene ring systems in (I) and (II) are almost planar, with r.m.s deviations from the mean plane = 0.0205 (14) in (I) and 0.016 (2) Å in (II). In (I) and (II), the triazole rings make dihedral angles of 32.68 (5) and 10.43 (8)°, respectively, with the mean planes of the benzo­thio­phene ring systems. The trimeth­oxy phenyl rings make dihedral angles with the benzo­thio­phene rings of 38.48 (4) in (I) and 60.43 (5)° in (II). In the crystal of (I), the mol­ecules are linked into chains by N—H⋯O hydrogen bonds with R 2 1(5) ring motifs. After the N-methyl­ation of structure (I), no hydrogen-bonding inter­actions were observed for structure (II). The crystal structure of (II) has a minor component of disorder that corresponds to a 180° flip of the benzo­thio­phene ring system [occupancy ratio 0.9363 (14):0.0637 (14)]
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