Results 1 to 10 of about 19,109 (207)

Synthesis, crystal structure and Hirshfeld surface analysis of 2-[(2,4-dimethylbenzyl)sulfanyl]pyrimidine-4,6-diamine [PDF]

Acta Crystallographica Section E: Crystallographic Communications
The title compound, C13H16N4S (DAMP-DMB), was synthesized through the reaction of 2,4-dimethylbenzyl chloride with diaminopyrimidine-thiol. Single-crystal X-ray diffraction analysis confirmed that the compound crystallizes in the monoclinic crystal ...
Gulrukh Salieva, Tursunali Kholikov, Rasul Ya Okmanov, Alimjon Matchanov, Khamid U Khodjaniyazov, Shakhnoza Kadirova, Batirbay Torambetov   +6 more
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Polymorphism and Hirshfeld surface analysis of tetraoxa[2]perfluoroarene[2]triazine [PDF]

Acta Crystallographica Section E: Crystallographic Communications
The title compound, tetraoxa[2]perfluoroarene[2]triazine (C20H6F8N6O6), composed of two tetrafluorophenylene and two triazine moieties connected by four oxygen atoms, was crystallized via slow evaporation of a dichloromethane solution, yielding two ...
Tadashi Kawasaki, Akiko Hori
doaj   +2 more sources

Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-methoxyphenyl)picolinamide [PDF]

Acta Crystallographica Section E: Crystallographic Communications
The synthesis, crystal structure, and Hirshfeld surface analysis of N-(4-methoxyphenyl)picolinamide (MPPA), C13H12N2O2, are presented. MPPA crystallizes in the monoclinic space group P21/n, with a single molecule in the asymmetric unit.
Dilnoza Burieva, Batirbay Torambetov, Sarvinoz Bobonazarova, Anvar Abdushukurov, Tursinali Kholikov, Akram A Khan, Jamshid Ashurov, Mukhriddin Yusufov   +7 more
doaj   +2 more sources

Single crystal X-ray structural and Hirshfeld surface analysis dataset for some isobutyl-1,2,6-triaryl-4-(arylamino)-1,2,5,6-tetrahydropyridine-3-carboxylates

Data in Brief, 2021
This article reports the single-crystal X-ray diffraction dataset of some isobutyl-1,2,6-triaryl-4-(arylamino)-1,2,5,6-tetrahydropyridine-3-carboxylate (1-3) derivatives with Hirshfeld surface analysis.
Chandran Udhaya Kumar, Poyyamozhi Surendar Anand, Annamalai Sethukumar, Kuppusamy Krishnasamy, Sivakolunthu Senthan, Govindhasamy Manikandan, Balasubramaniam Arul Prakasam   +6 more
doaj   +1 more source

Synthesis, crystal structure and Hirshfeld surface analysis of 2-(perfluorophenyl)acetamide in comparison with some related compounds

Acta Crystallographica Section E: Crystallographic Communications, 2022
The molecular and crystal structures of the title compound, C8H4F5NO, were examined by single-crystal X-ray diffraction and Hirshfeld surface analysis. The title compound was synthesized by a new method at the interface of aqueous solutions of LiOH and ...
Anton P. Novikov, Alexey A. Bezdomnikov, Mikhail S. Grigoriev, Konstantin E. German   +3 more
doaj   +1 more source

Synthesis, crystal structure and Hirshfeld surface analysis of di-μ2-iodido-bis[(2,2′-biquinoline-κ2N,N′)copper(I)]

Acta Crystallographica Section E: Crystallographic Communications, 2023
The molecular and crystal structures of the title compound, [Cu2I2(C18H12N2)2], were examined by single-crystal X-ray diffraction and Hirshfeld surface analysis.
Ayalew W. Temesgen, Anton P. Novikov, Alexander G. Tskhovrebov, Ekaterina K. Kultyshkina, Tuan Anh Le   +4 more
doaj   +1 more source

Crystal structure and Hirshfeld surface analysis of 3-methyl-4-oxo-N-phenyl-3,4-dihydroquinazoline-2-carbothioamide

Acta Crystallographica Section E: Crystallographic Communications, 2022
The asymmetric unit of the title compound, C16H13N3OS, comprises two molecules (A and B) with similar conformations that differ mainly in the orientation of the phenyl group relative to the rest of the molecule, as expressed by the Cthioamide—Nthioamide ...
Nasiba Pirnazarova, Ubaydullo Yakubov, Sevara Allabergenova, Akmaljon Tojiboev, Kambarali Turgunov, Burkhon Elmuradov   +5 more
doaj   +1 more source

Synthesis, crystal structure and Hirshfeld surface analysis of new phosphoric triamide [2-F-C6H4C(O)NH]P(O)[NHCH(CH3)2]2 [PDF]

شیمی کاربردی روز, 2016
In present work, new phosphoric triamide N-(2-fluorobenzoyl)-N′,N"-diisopropylphosphoric triamide, [2-F-C6H4C(O)NH]P(O)[NHCH(CH3)2]2, was synthesized and characterized by X-ray crystallography analysis.
Atekeh Tarahhomi, Arnold L. Rheingold, James A. Golen   +2 more
doaj   +1 more source

Crystal structure and Hirshfeld surface analysis of 4-(3-methoxyphenyl)-2,6-diphenylpyridine

Acta Crystallographica Section E: Crystallographic Communications, 2022
The title compound, C24H19NO, was obtained via the reaction of (1E,2E)-3-(3-methoxyphenyl)-1-phenylprop-2-en-1-one with ethyl 2-oxopropanoate, using NH4I as a catalyst. The compound crystallizes in the monoclinic space group I2/a.
Dong Cheng, Xiang-Zhen Meng, Fuyu Tian, Dong Yan, Xiaofei Wang, Xueli Qian, Junnan Wang   +6 more
doaj   +1 more source

Ab initio data-analytics study of carbon-dioxide activation on semiconductor oxide surfaces [PDF]

, 2020
The excessive emissions of carbon dioxide (CO$_2$) into the atmosphere threaten to shift the CO$_2$ cycle planet-wide and induce unpredictable climate changes.
Ghiringhelli, Luca M., Illas, Francesc, Levchenko, Sergey V., Mazheika, Aliaksei, Scheffler, Matthias, Valero, Rosendo, Vines, Francesc, Wang, Yanggang   +7 more
core   +3 more sources