Erbil Ağar

Ondokuz Mayıs University

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Necmi Dege

Ondokuz Mayıs University

ŞI

Ş. Işık

Ondokuz Mayıs University

Nesuhi Akdemir

Amasya Üniversitesi

Ferda Erşahin

Ondokuz Mayıs University

Hasan Tanak

Amasya Üniversitesi

Metin Yavuz

Ankara University

Orhan Büyükgüngör

Ondokuz Mayıs University

SŞ

Selami Şaşmaz

Recep Tayyip Erdoğan University

Onur Erman Doğan

Ondokuz Mayıs University

ÇA

Ç. Albayrak

Sinop University

Cooperative Institutions

Ondokuz Mayıs University

130

Karadeniz Technical University

Kyoto University Research Reactor Institute

The University of Tokyo

Sinop University

Giresun University

Amasya Üniversitesi

Ankara University

Hacettepe University

Centre National de la Recherche Scientifique

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2-{1-[(4-Methoxyphenyl)imino]ethyl}-4-nitrophenol

Acta Crystallographica Section A Foundations of Crystallography (2009)

Tufan Akbal Ahmet Erdönmez Erbil Ağar Ferda Erşahin

of importance of the phthalimides, we herein report the structures of (I), (II) and (III) compounds.R N O O Cl Cl (I) R= 2-F; (II) R= 2-OH; (III) R= 3-OMe The crystal structure of the (I) exhibit C-H…π, and π-π interaction.The compound (II) has C-H…O, O-H…O hydrogen bonds and C-Cl…O hetroatom interactions and the crystal structure of (III) is stabilized by aromatic π-π stacking interactions.The dihedral angle between the isoindoline units and phenyl rings in (I), (II) and (III) are 58.63(18)˚,75.55(3)˚and 77.63(3)˚, respectively.

4-Nitrophenol

Nitrophenol

10.1107/s0108767309095087

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Crystal structure and Hirshfeld surface analysis of (Z)-2-{[(2,4-dimethylphenyl)imino]methyl}-4-methylphenol

Acta Crystallographica Section E Crystallographic Communications (2021)

Sevgi Kansız Adem Gül Necmi Dege Erbil Ağar Eiad Saif

The title compound, C 16 H 17 NO, is a Schiff base that exists in the enol–imine tautomeric form and adopts a Z configuration. The molecule is non-planar, with the twisted rings making a dihedral angle of 39.92 (4)°. The intramolecular O—H...N hydrogen bond forms an S (6) ring motif. In the crystal, molecules are linked by C—H...π interactions and very weak π-π stacking interactions also help to consolidate the crystal packing. A Hirshfeld surface analysis was performed to investigate the contributions of different intermolecular contacts within the supramolecular structure. The major contributions are from H...H (65%), C...H (19.2%) and O...H (6.6%) interactions.

Dihedral angle

Imine

Crystal (programming language)

10.1107/s2056989021010215

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CCDC 1062248: Experimental Crystal Structure Determination

The Cambridge Structural Database (2016)

Hasan Tanak F. Sanem Koçak Erbil Ağar

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccdc.csd.cc14nc27

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Microwave-assisted synthesis and characterization of differently substituted phthalocyanines containing 3,5-dimethoxyphenol and octanethiol moieties

Dyes and Pigments (2006)

Cihan Kantar Nesuhi Akdemir Erbil Ağar N. Ocak Selami Şaşmaz

Characterization

10.1016/j.dyepig.2006.08.005

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Citations (25)

CCDC 1915380: Experimental Crystal Structure Determination

The Cambridge Structural Database (2019)

Sevgi Kansız N. Dege Alev Sema Aydın Erbil Ağar Igor P. Matushko

10.5517/ccdc.csd.cc2293gz

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CCDC 1517956: Experimental Crystal Structure Determination

The Cambridge Structural Database (2018)

Gonca Özdemir Tarı Ümit Ceylan Serap Uzun Erbil Ağar Orhan Büyükgüngör

10.5517/ccdc.csd.cc1mykbg

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STRUCTURAL INVESTIGATION AND HIRSHFELD SURFACE ANALYSIS OF TWO [ONO]-TYPE SCHIFF BASES

Журнал структурной химии (2023)

Semanur Yeşilbağ Sevgi Kansız Necmi Dege Erbil Ağar

Monoclinic crystal system

Orthorhombic crystal system

Proton NMR

10.26902/jsc_id123641

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Synthesis, X-ray diffraction, spectroscopic (FT-IR, UV-Vis, ¹H-NMR, ¹³C-NMR and TGA), DFT and molecular docking studies of (E)-3-(((3-chloro-4-(4-chlorphenoxy) phenyl) imino) methyl) benzene-1,2-diol

Molecular Crystals and Liquid Crystals (2022)

Serap Uzun Zeynep Demi̇rci̇oğlu Mahmut Taşdoğan Erbil Ağar

The title compound has been synthesized and characterized by FT-IR, UV-Vis, TGA, 1H-NMR and 13C-NMR spectroscopic techniques. Solid state of title structure has been determined by XRD. The molecular properties of title compound have performed by Density functional theory (DFT) using B3LYP/6-31G(d,p) method. Also, the interactions between the title molecule with DNA bases have been calculated by using the electrophilicity-based charge transfer (ECT) method for investigating the charge transfer. Finally, molecular docking study has also performed to investigate the binding pattern of the title compound with PDB ID: 2QDJ inhibitor targets and showed good insights on the possible interactions.

Proton NMR

10.1080/15421406.2022.2045793

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Citations (1)

4,4′-[2,2′-(Piperidine-1,4-diyldiethylene)di(tosylimino)]diphthalonitrile

Acta Crystallographica Section E Structure Reports Online (2002)

Ufuk Çoruh Nesuhi Akdemir Erbil Ağar E.M. Vázquez-López Ahmet Erdönmez

The title compound, C38H36N8O4S2, has a center of symmetry and the central six-membered ring shows a chair conformation. The dihedral angle between the ring carrying the tosyl group and the phthalonitrile ring is 36.98 (11)°. The crystal structure is stabilized by an intramolecular C—H⋯N and two intermolecular C—H⋯O close contacts.

Dihedral angle

Piperidine

Cyclohexane conformation

Center (category theory)

Crystal (programming language)

10.1107/s1600536802012308

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Citations (2)

Acetylcholine and Butyrylcholine Esterase Inhibitory Potential of Newly Synthesized Halogenated Compounds: In Vitro, In Silico and MD Simulation

Journal of Molecular Structure (2024)

Semanur Yeşilbağ Muhammad Asam Raza Zeshan Ali Sandhu Umme Farwa Emine Berrin Poyraz

Esterase

10.1016/j.molstruc.2024.139972

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Citations (2)