Yazar "Akkurt, Mehmet" seçeneğine göre listele

Listeleniyor 1 - 8 / 8
  • [ X ]
    Öğe
    A chalcone showing positional disorder, two related diarylcyclohexenones showing enantiomeric disorder and a related hydroxyterphenyl, all derived from simple carbonyl precursors
    (Int Union Crystallography, 2015) Salian, Vinutha V.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Celik, Omer; Ersanli, Cem Cuneyt; Glidewell, Christopher
    Four compounds are reported, all of which lie along a versatile reaction pathway which leads from simple carbonyl compounds to terphenyls. (2E)-1-(2,4- Dichlorophenyl)-3-[4-(prop-1-en-2-yl)phenyl]prop-2-en-1-one, C18H14Cl2O, (I), prepared from 4-(prop-1-en-2-yl)benzaldehyde and 2,4-dichloroacetophenone, exhibits disorder over two sets of atomic sites having occupancies of 0.664 (6) and 0.336 (6). The related chalcone (2E)-3-(4-chlorophenyl)-1-(4-fluorophenyl)-prop-2-en-1-one reacts with acetone to produce (5RS)-3-(4-chlorophenyl)-5-[4-(propan-2-yl)phenyl]cyclohex-2-en-1-one, C21H21ClO, (II), which exhibits enantiomeric disorder with occupancies at the reference site of 0.662 (4) and 0.338 (4) for the (5R) and (5S) forms; the same chalcone reacts with methyl 3-oxobutanoate to give methyl (1RS, 6SR)-4-(4-chlorophenyl)-6-[4-(propan-2-yl)phenyl]-2-oxocyclohex-3-ene-1-carboxylate, C23H23ClO3, (III), where the reference site contains both (1R,6S) and (1S,6R) forms with occupancies of 0.923 (3) and 0.077 (3), respectively. Oxidation, using 2,3-dichloro-5,6-dicyano-1,4-benzoquinone, of ethyl (1RS, 6SR)-6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate, prepared in a similar manner to (II) and (III), produces ethyl 4 ''-bromo-4-fluoro-5'-hydroxy-1,1':3',1 ''-terphenyl-4'-carboxylate, C21H16BrFO3, (IV), which crystallizes with Z' = 2 in the space group P (1) over bar. There are no significant intermolecular interactions in the structures of compounds (I) and (II), but for the major disorder component of compound (III), the molecules are linked into sheets by a combination of C-H center dot center dot center dot O and C-H center dot center dot center dot pi(arene) hydrogen bonds. The two independent molecules of compound (IV) form two different centrosymmetric dimers, one built from inversion-related pairs of C-H center dot center dot center dot O hydrogen bonds and the other from inversion-related pairs of C-H center dot center dot center dot pi(arene) hydrogen bonds. Comparisons are made with related compounds.
  • [ X ]
    Öğe
    Crystal structure of 1,3-bis(4-methylbenzyl)-1H-1,3-benzimidazol-3-ium bromide monohydrate
    (Int Union Crystallography, 2015) Celikesir, Sevim Turktekin; Celik, Omer; Akkoc, Senem; Ilhan, Ilhanb Ozer; Gok, Yetkin; Akkurt, Mehmet
    In the title hydrated symetrically substituted 1,3-bis(4-methyl-benzyl) benzimidazolium salt, C23H23N2+center dot Br-center dot H2O, the dihedral angles between the benzimidazole ring system (r.m.s. deviation = 0.003 angstrom) and the pendant benzene rings are 73.18 (16) and 77.52 (16)degrees. Both benzene rings lie to the same side of the benzimidazole ring system, giving the cation an overall U-shape. In the crystal, the cation is linked to the water molecule by a short C-H center dot center dot center dot O hydrogen bond and the water molecule forms O-H center dot center dot center dot Br hydrogen bonds. Together, these interactions lead to [010] chains. The packing is consolidated by C-H center dot center dot center dot Br hydrogen bonds and aromatic pi-pi stacking interactions [centroid-centroid distances = 3.5401 (17) and 3.8815 (18) angstrom], generating a three-dimensional network.
  • [ X ]
    Öğe
    Crystal structure of 1-(4-methoxyphenyl)-4-(4-nitrophenyl)-3-phenoxyazetidin-2-one
    (Int Union Crystallography, 2015) Celikesir, Sevim Turktekin; Akkurt, Mehmet; Jarrahpour, Aliasghar; Shafie, Habib Allah; Celik, Omer
    In the title compound, C22H18N2O5, the central beta-lactam ring (r.m.s. deviation = 0.002 angstrom) makes dihedral angles of 64.21 (14), 82.35 (12) and 20.66 (13)degrees with the phenyl ring and the nitro-and methoxybenzene rings, respectively. The molecular structure is stabilized by an intramolecular C-H center dot center dot center dot O hydrogen bond. In the crystal, molecules are linked via C-H center dot center dot center dot O hydrogen bonds, forming slabs lying parallel to (111). The slabs are linked via C-H center dot center dot center dot pi interactions, forming a three-dimensional network.
  • [ X ]
    Öğe
    Crystal structure of 2-[(3S, 4S)-4-(anthracen-9-yl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]-2-aza-2H-phenalene-1,3-dione unknown solvate
    (Int Union Crystallography, 2015) Celik, Ismail; Akkurt, Mehmet; Jarrahpour, Aliasghar; Rad, Javad Ameri; Celik, Omer
    The central beta-lactam ring of the title compound, C36H24N2O4, is almost planar (r.m.s. deviation = 0.003 angstrom) and makes dihedral angles of 17.17 (19), 89.76 (17) and 78.44 (17)degrees with the benzene ring, the anthracene ring (r.m.s. deviation = 0.003 angstrom) and the 1H-benzo[de] isoquinoline-1,3(2H)-dione moiety, which is nearly planar [maximum deviation = 0.098 (2) angstrom], respectively. The molecular structure is stabilized by an intramolecular C-H center dot center dot center dot N hydrogen bond. In the crystal, molecules are linked via C-H center dot center dot center dot pi and pi-pi stacking interactions [centroid-centroid distances = 3.5270 (19) and 3.779 (2) angstrom], forming a three-dimensional structure. A region of disordered electron density, probably disordered solvent molecules, was treated with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9-18], which indicated a solvent cavity of 322 angstrom(3) containing approximately 91 electrons. Their formula mass and unit-cell characteristics were not taken into account during the refinement.
  • [ X ]
    Öğe
    Crystal structure of 2-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-oxoazetidin-3-yl]benzo[de]isoquinoline-1,3-dione dimethyl sulfoxide monosolvate
    (Int Union Crystallography, 2015) Celik, Ismail; Akkurt, Mehmet; Jarrahpour, Aliasghar; Rad, Javad Ameri; Celik, Omer
    In the title solvated compound, C28H19N2O4 center dot C2H6OS, the central beta-lactam ring is almost planar (r.m.s. deviation = 0.002 angstrom). It makes dihedral angles of 1.92 (11), 83.23 (12) and 74.90 (10)degrees with the methoxy-and chlorophenyl rings and the ring plane of the 1H-benzo[de]isoquinoline-1,3(2H)-dione group [maximum deviation = 0.089 (1)], respectively. An intramolecular C-H center dot center dot center dot O hydrogen bond closes an S(6) ring and helps to establish the near coplanarity of the beta-lactam and methoxybenzene rings. In the crystal, the components are linked by C-H center dot center dot center dot O hydrogen bonds, C-H center dot center dot center dot pi interactions and aromatic pi-pi stacking interactions [centroid-to-centroid distances = 3.6166 (10) and 3.7159 (10) angstrom], resulting in a three-dimensional network, The dimethyl sulfoxide solvent molecule is disordered over two sets of sites in a 0.847 (2):0.153 (2) ratio.
  • [ X ]
    Öğe
    Crystal structure of 3-(4-chlorophenoxy)4-(2-nitrophenyl)azetidin-2-one with an unknown solvate
    (Int Union Crystallography, 2015) Celikesir, Sevim Turktekin; Akkurt, Mehmet; Jarrahpour, Aliasghar; Shafie, Habib Allah; Celik, Omer
    In the title compound, C15H11ClN2O4, the central beta-lactam ring is approximately planar [maximum deviation = 0.044 (2) angstrom for the N atom from the mean plane] and subtends dihedral angles of 61.17 (11) and 40.21 (12)degrees, respectively, with the nitro and chlorobenzene rings. Both substituents lie to the same side of the beta-lactam core. In the crystal, N-H center dot center dot center dot O hydrogen bonds link the molecules into C(4) chains propagating in [010]. The chains are cross-linked by C-H center dot center dot center dot O and weak C-H center dot center dot center dot pi interactions, generating a three-dimensional network. The solvent molecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure in PLATON [Spek (2009). Acta Cryst. D65, 148-155], which indicated a solvent cavity of volume 318 angstrom(3) containing approximately 114 electrons. These solvent molecules are not considered in the given chemical formula and other crystal data.
  • [ X ]
    Öğe
    Dihydrooxazolones and dihydroimidazolones derived from acylglycines: syntheses, molecular structures and supramolecular assembly
    (Int Union Crystallography, 2015) Subbulakshmi, Karanth N.; Narayana, Badiadka; Yathirajan, Hemmige S.; Akkurt, Mehmet; Celik, Omer; Ersanli, Cem Cuneyt; Glidewell, Christopher
    Syntheses and structures are described for some alkylidene-substituted dihydrooxazolones and dihydroimidazoles derived from simple acylglycines. A second, triclinic, polymorph of 4-benzylidene-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one, C17H13NO2, (I), has been identified and the structure of 2-methyl-4-[(thiophen-2-yl) methylidene]-1,3-oxazol-5(4H)-one, C9H7NO2S, (II), has been rerefined taking into account the orientational disorder of the thienyl group in each of the two independent molecules. The reactions of phenylhydrazine with 2-phenyl-4-[(thiophen-2-yl) methylidene]-1,3-oxazol-5(4H)-one or 2-(4-methylphenyl)-4-[(thiophen-2-yl) methylidene]-1,3-oxazol-5(4H)-one yield, respectively, 3-anilino-2-phenyl-5-[(thiophen-2-yl) methylidene]-3,5-dihydro-4H-imidazol-4-one, C10H15N3OS, (III), and 3-anilino-2-(4-methylphenyl)-5-[(thiophen-2-yl) methylidene]-3,5-dihydro-4H-imidazol-4-one, C21H17N3OS, (IV), which both exhibit orientational disorder in their thienyl groups. The reactions of 2-phenyl-4[(thiophen-2-yl) methylidene]-1,3-oxazol-5(4H)-one with hydrazine hydrate or with water yield, respectively, N-[3-hydrazinyl-3-oxo-1-(thiophen-2-yl) prop-1en-2-yl] benzamide and 2-(benzoylamino)-3-(thiophen-2-yl) prop-2-enoic acid, which in turn react, respectively, with thiophene-2-carbaldehyde to form 2-phenyl-5-[(thiophen-2-yl) methylidene]-3-{[(E)-(thiophen-2-yl) methylidene]amino}-3,5-dihydro-4H-imidazol-4-one, C19H13N3OS2, (V), which exhibits orientational disorder in only one of its thienyl groups, and with methanol to give methyl (2Z)-2-(benzoylamino)-3-(thiophen-2-yl) prop-2-enoate, C15H13NO3S, (VI). There are no direction-specific intermolecular interactions in the crystal structure of the triclinic polymorph of (I), but the molecules of (II) are linked by two independent C-H center dot center dot center dot O hydrogen bonds to form C-2(2)(14) chains. Compounds (III) and (IV) both form centrosymmetric R-2(2)(10) dimers built from N-H center dot center dot center dot O hydrogen bonds, while compound (V) forms a centrosymmetric R-2(2)(10) dimer built from C-H center dot center dot center dot O hydrogen bonds. In the structure of compound (VI), a combination of N-H center dot center dot center dot O and C-H center dot center dot center dot pi (arene) hydrogen bonds links the molecules into sheets. Comparisons are made with some similar compounds.
  • [ X ]
    Öğe
    Spectral, structural, and theoretical investigation of a cationic Nickel(II) complex with N4S2-donor Schiff-base ligand and perchlorate counterions
    (Elsevier, 2021) Rostami, Fatemeh; Abedi, Marjan; Shamkhali, Amir Nasser; Akkurt, Mehmet; Celik, Omer; Mahmoudi, Ghodrat; Masoudiasl, Ardavan
    A reaction between a hexadentate pyridine-based ligand (L) [pyridine-2-ylmethylene][2-({2-[(2-{[pyridine2 ylmethylene]amino}phenyl)thio]ethyl}thio)phenyl]aminewith ) gave the complex of [NiL](ClO4)(2)center dot H2O. This synthesized complex has been characterized by a variety of physico-chemical techniques. Based on the structural data, the geometry of NiN4S2 cationic complex is slightly distorted-octahedral. The asymmetric unit consisted of one Schiff-base ligand (L), one Ni(II) ion, two disordered perchlorate counterions, and one water molecule. The crystal packing analysis also showed O-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogenbonding interactions form a three-dimensional (3D) supramolecular structure. Moreover, Hirshfeld surface analysis ratified the effective role of perchlorate anions and water molecules in the formation and stabilization of the crystal packing. Also, density functional theory calculations were used to analyze the electronic structure of the complex which gave us consistent results with the obtained experimental data for the complex. (c) 2020 Elsevier B.V. All rights reserved.