80 research outputs found

    A triclinic polymorph of 3-nitro­anilinium chloride

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    The asymmetric unit of the title compound, C6H7N2O2 +·Cl−, contains two independent ion pairs. A monoclinic form of the title compound with only one ion pair in the asymmetric unit has been reported previously [Ploug-Sørensen & Andersen (1986). Acta Cryst. C42, 1813–1815]. In the crystal of the title compound, the components are linked into layers parallel to (001) by inter­molecular N—H⋯Cl hydrogen bonds, with alternating hydro­philic and hydro­phobic regions

    Creatininium hydrogen maleate

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    In the title compound, C4H8N3O+·C4H3O4 −, the cations and anions are linked through N—H⋯O hydrogen bonds making a ionic pair with an R 2 2(8) ring motif. These ionic pairs are further connected through another N—H⋯O hydrogen bond, leading to an R 6 6(16) ring motif around the inversion centres of the unit cell. These approximately planar aggregates are further connected through weak van der Waals inter­actions in the unit cell. The anions have a characteristic intra­molecular O—H⋯O hydrogen bond with a self-associated ring S(7) motif

    1,5-Dimethyl-3-oxo-2-phenyl-2,3-di­hy­dro-1H-pyrazol-4-aminium 2-hydroxy­benzoate

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    In the title salt, C11H14N3O+·C7H5O3 −, the phenyl ring of the cation is oriented at an angle of 67.0 (1)° with respect to the five-membered pyrazolone ring. The carboxyl­ate plane of the anion is twisted out from the plane of the aromatic ring at an angle of 13.7 (3)°. In the crystal, the cations form hydrogen-bonded dimers with an R 2 2(10) ring motif. The salicylate anion has an intra­molecular O—H⋯O hydrogen bond

    (E)-3-Phenyl-3-(3-phenyl-1H-1-pyrazol­yl)-2-propenal

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    In the title compound C18H14N2O, the pendant rings make dihedral angles of 66.1 (1)° and 13.9 (1) with the central ring. In the crystal, two mol­ecules form a cyclic centrosymmetric R 2 2(22) dimer through pairs of C—H⋯O bonds. These dimers are further connected into zigzag chains extending along the b axis through C—H⋯π and C—H⋯O inter­actions

    2-Amino-6-(2,4-dichloro­phen­yl)-4-oxo-3,5-diphenyl­cyclo­hex-2-enecarbonitrile

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    In the title compound, C25H18Cl2N2O, the cyclo­hexene ring has a sofa conformation. All the substituents in the cyclo­hexene ring, except the cyano group (which is axial) occupy equatorial positions. The crystal structure is stabilized through N—H⋯O hydrogen bonds, forming a chain extending along the b axis and through C—H⋯N and C—H⋯Cl inter­actions. It is remarkable that only one of the amino H atoms is involved in hydrogen bonding

    Designing a new vanillin Schiff base (Z)-4-((2-hydroxy-3-methoxy benzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one: Synthesis, characterization, crystal structure and biological studies

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    1110-1116Novel Schiff base containing antipyrine and o-vanillin has been synthesized and characterized by various physicochemical techniques such as FTIR, UV-Vis, CHN, 1Hand 13C NMR spectral studies. The thermal behavior of the title compound has been examined with Thermogravimetric-Differential thermal analysis (TG-DTA). The structural properties have been further examined by single crystal X-ray diffraction studies. The X-ray diffraction data shows that the compound contains four molecules in the asymmetric unit. Antifungal activity of the compound has been carried out for four different fungi Aspergillus niger, Aspergillus flavus, Aspergillus terrus and Fusarium Sp at three different concentrations, whereas the compound shows significant activity against the fungi Aspergillus niger

    Designing a new vanillin Schiff base (Z)-4-((2-hydroxy-3-methoxy benzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one: Synthesis, characterization, crystal structure and biological studies 

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    Novel Schiff base containing antipyrine and o-vanillin has been synthesized and characterized by various physicochemical techniques such as FTIR, UV-Vis, CHN, 1Hand 13C NMR spectral studies. The thermal behavior of the title compound has been examined with Thermogravimetric-Differential thermal analysis (TG-DTA). The structural properties have been further examined by single crystal X-ray diffraction studies. The X-ray diffraction data shows that the compound contains four molecules in the asymmetric unit. Antifungal activity of the compound has been carried out for four different fungi Aspergillus niger, Aspergillus flavus, Aspergillus terrus and Fusarium Sp at three different concentrations, whereas the compound shows significant activity against the fungi Aspergillus niger.

    2,3,6-Triphenyl­piperidin-4-one

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    In the title mol­ecule, C23H21NO, the piperidine ring adopts a chair conformation, with the N and carbonyl C atoms as flaps, which deviate on either side of the chair by −0.706 (3) and 0.494 (3) Å, respectively. All three phenyl rings are in equatorial positions on the piperidine ring, making angles with the puckering plane of 73.5 (1), 73.1 (1) and 67.2 (1)°. Though there is no classical hydrogen bonding, the crystal is stabilized by inter­molecular C—H⋯π contacts and π–π stacking inter­actions involving phenyl rings [centroid–centroid distance = 4.424 (2) Å]

    2,6-Bis(2-chloro­phen­yl)-4-oxo-3,5-diphenyl­heptane-1,1,7,7-tetra­carbo­nitrile

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    In the title compound, C35H24Cl2N4O, the phenyl rings are oriented almost parallel to each other, making a dihedral angle of 0.6 (2)°, whereas the chloro­phenyl rings are oriented at a dihedral angle of 28.3 (1)°. The crystal structure is stabilized through an extensive series of C—H⋯N, C—H⋯O and C—H⋯Cl inter­actions. One of the C—H⋯N inter­actions generates an R 2 2(12) ring motif around a crystallographic inversion centre. C(5), C(10) and C(12) chain motifs are observed in the unit cell through C—H⋯N and C—H⋯Cl inter­actions. During the structure analysis, it was observed that the unit cell contains large accessible voids, which host disordered solvent mol­ecules. This affects the diffraction pattern, mostly at low scattering angles and was corrected with the SQUEEZE program [Spek, A. L. (2009 ▶). Acta Cryst. D65, 148–155]

    Diethyl 1-benzyl-2,2-dioxo-4-phenyl-3,4,6,7,8,8a-hexa­hydro-1H-pyrrolo­[2,1-c][1,4]thia­zine-1,3-dicarboxyl­ate

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    In the title compound, C26H31NO6S, the five-membered pyrrolidine ring adopts an envelope conformation and the six-membered thia­zine ring is in a distorted chair conformation. The crystal packing is stabilized through an inter­molecular C—H⋯O inter­action, generating inversion-related R 2 2(10) ring motifs
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