211 research outputs found

    4-{[(E)-(3-Phenyl-1H-pyrazol-4-yl)methyl­idene]amino}-1H-1,2,4-triazole-5(4H)-thione

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    In the title compound, C12H10N6S, a weak intra­molecular C—H⋯S hydrogen bond stabilizes the mol­ecular conformation. The pyrazole and triazole rings form a dihedral angle of 17.82 (8)°. The mol­ecule adopts an E configuration with respect to the central C=N double bond. In the crystal, inter­molecular N—H⋯N and N—H⋯S hydrogen bonds link mol­ecules into chains propagating in [20]

    4-(1,2,4-Triazol-1-yl)aniline

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    In the title compound, C8H8N4, the dihedral angle between the triazole ring [maximum deviation = 0.003 (1) Å] and the benzene ring is 34.57 (7)°. In the crystal, mol­ecules are linked into sheets lying parallel to the ac plane via inter­molecular N—H⋯N and C—H⋯N hydrogen bonds. Aromatic π–π [centroid–centroid distance = 3.6750 (8) Å] stacking and N—H⋯π inter­actions are also observed

    (1Z)-1-(2,4-Dichloro­phen­yl)ethan-1-one semicarbazone

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    In the title compound, C9H9Cl2N3O, the semicarbazone group is approximately planar, with an r.m.s deviation from the mean plane of 0.011 (2) Å. The dihedral angle between the least-squares planes through the semicarbazone group and the benzene ring is 38.76 (9)°. The crystal structure is further stabilized by N—H⋯O and C—H⋯O hydrogen bonding

    Synthesis and characterization of Schiff base metal complexes and reactivity studies with maleimide epoxy resin

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    A novel maleimide epoxy contg. Co(II)​, Ni(II)​, and Cu(II) ions have been synthesized by curing a maleimide epoxy resin (MIEB-​13) with Co(II)​, Ni(II)​, and Cu(II) complexes of a macrocyclic bis-​hydrazone Schiff base. The Schiff base was synthesized by reacting terephthaloyl dihydrazide with 2,​6-​diformyl-​4-​methylphenol. The Schiff base and its Co(II)​, Ni(II)​, and Cu(II) complexes have been characterized by elemental analyses, spectral (IR, 1H NMR, UV-​vis., FAB mass, ESR)​, thermal, and magnetic data. The curing reaction of the epoxy resin was carried out with the metal complex crosslinking agents. The stability of the cured samples was studied by thermogravimetric analyses; the products have excellent chem. (acid​/alkali​/solvent) and water absorption resistance. Further, SEM and DSC techniques confirmed the phase homogeneity of the cured systems

    (2E)-1-(2,4-Dichloro­phen­yl)-3-[3-(4-nitro­phen­yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one

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    In the title compound, C24H15Cl2N3O3, the C=C double bond is E configured. The 1-phenyl-1H-pyrazole moiety is roughly planar (r.m.s. deviation of all fitted non-H atoms = 0.0780 Å), but the mean planes of the two components are inclined at an angle of 9.95 (7)°. The mean plane defined by the non-H atoms of the 1H-pyrazole ring encloses angles of 9.95 (7), 24.54 (6) and 43.02 (6)° with the mean planes of the different benzene rings. In the crystal, C—H⋯O contacts are present and result in the formation of a double-layer two-dimensional network lying parallel to (110). The shortest inter­centroid distance between two aromatic systems is 3.5455 (7) Å and is apparent between two pyrazole systems. Further π–π inter­actions are manifest between a pair of 4-nitro­phenyl rings [centroid-to-centroid distance = 3.6443 (7) Å] and a pair of 2,4-dichloro­phenyl rings [centroid-to-centroid distance = 3.7797 (7) Å]

    N-(5-Bromo­pyridin-2-yl)acetamide

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    The asymmetric unit of the title compound, C7H7BrN2O, contains two mol­ecules, in one of which the methyl H atoms are disorderd over two orientations in a 0.57 (3):0.43 (3) ratio. The dihedral angles between the pyridine rings and the acetamide groups are 7.27 (11) and 8.46 (11)°. In the crystal, mol­ecules are linked by N—H⋯O and C—H⋯O hydrogen bonds generating bifurcated R 2 1(5) ring motifs, which in turn lead to [110] chains

    Diethyl 4-[5-(4-chloro­phen­yl)-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro­pyridine-3,5-dicarboxyl­ate

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    In the title compound, C22H24ClN3O4, intra­molecular C—H⋯O and C—H⋯N hydrogen bonds form S(9) and S(7) ring motifs, respectively. The 1,4-dihydro­pyridine ring adopts a flattened boat conformation. The benzene ring makes a dihedral angle of 33.36 (6)° with the pyrazole ring. In the crystal, pairs of N—H⋯N hydrogen bonds link the mol­ecules into inversion dimers. The dimers are stacked in column along the a axis through N—H⋯O and C—H⋯N hydrogen bonds. The crystal packing also features C—H⋯π inter­actions involving the pyrazole ring

    (4-Chloro-2-fluoro­phen­yl)[1-(2,6-difluoro­phen­yl)but-3-en­yl]amine

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    In the mol­ecule of the title homoallylic amine, C16H13ClF3N, the dihedral angle between the two benzene rings is 84.63 (4)°. Weak intra­molecular N—H⋯F hydrogen bonds generate S(6) and S(5) ring motifs. In the crystal structure, weak inter­molecuar N—H⋯F hydrogen bonds link mol­ecules into centrosymmetric dimers which are arranged in mol­ecular sheets parallel to the ac plane

    1-Dibromo­methyl-4-meth­oxy-2-nitro­benzene

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    The asymmetric unit of the title compound, C8H7Br2NO3, comprises two crystallographically independent mol­ecules (A and B). The nitro groups are twisted from the attached benzene rings, making dihedral angles of 39.26 (9) and 35.90 (9)° in mol­ecules A and B, respectively. In each mol­ecule, the dibromo­methyl group is orientated in such a way that the two Br atoms are tilted away from the benzene ring. An inter­esting features of the crystal structure is the two short Br⋯Br inter­actions which, together with inter­molecular C—H⋯O hydrogen bonds, link the mol­ecules into an extended three-dimensional network. The crystal structure is further stabilized by weak C—H⋯π inter­actions

    (E)-1-(2,4-Dichloro­phen­yl)-3-[3-(4-meth­oxy­phen­yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one

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    In the title mol­ecule, C25H18Cl2N2O2, the dihedral angles between the pyrazole ring and its N- and C-bonded benzene rings are 8.28 (11) and 40.89 (10)°, respectively. The dihedral angle between the benzene rings is 39.03 (11)°. The title mol­ecule exists in a trans conformation with respect to the acyclic C=C bond. In the crystal, mol­ecules are linked into inversion dimers by pairs of inter­molecular C—H⋯O hydrogen bonds, generating R 2 2(14) loops
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