81 research outputs found
A triclinic polymorph of 3-nitroanilinium chloride
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
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
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
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
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
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
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
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
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
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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