Results 1 to 10 of about 1,195,244 (259)

Crystal structure and Hirshfeld surface analysis of (E)-1-[2,2-dibromo-1-(2-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene [PDF]

Acta Crystallographica Section E: Crystallographic Communications, 2022
In the title compound, C14H8Br2FN3O2, the nitro-substituted benzene ring and the 4-fluorophenyl ring form a dihedral angle of 65.73 (7)°. In the crystal, molecules are linked into chains by C—H...O hydrogen bonds running parallel to the c-axis direction.
Sevim Türktekin Çelikesir, Mehmet Akkurt, Namiq Q. Shikhaliyev, Naila A. Mammadova, Gulnar T. Suleymanova, Victor N. Khrustalev, Ajaya Bhattarai   +6 more
doaj   +2 more sources

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 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
doaj   +2 more sources

2-[(1E)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]-6-methoxyphenol: crystal structure and Hirshfeld surface analysis [PDF]

Acta Crystallographica Section E: Crystallographic Communications, 2016
The title dithiocarbazate ester, C16H16N2O2S2, comprises two almost planar residues, i.e. the phenyl ring and the remaining 14 non-H atoms (r.m.s. deviation = 0.0410 Å). These are orientated perpendicularly, forming a dihedral angle of 82.72 (5)°.
Enis Nadia Md Yusof, Mukesh M. Jotani, Edward R. T. Tiekink, Thahira B. S. A. Ravoof   +3 more
doaj   +4 more sources

2-({[(Pyridin-1-ium-2-ylmethyl)carbamoyl]formamido}methyl)pyridin-1-ium bis(3,5-dicarboxybenzoate): crystal structure and Hirshfeld surface analysis [PDF]

, 2016
The asymmetric unit of the title salt, C14H16N4O22+·2C9H5O6−, comprises half a dication, being located about a centre of inversion, and one anion, in a general position.
Mukesh M. Jotani, Sabrina Syed, Siti Nadiah Abdul Halim, Edward R. T. Tiekink   +3 more
openalex   +4 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

Crystal Structure, Hirshfeld Surface Analysis, and Biological Activities of Schiff-Base Derivatives of 4-Aminoantipyrine

ACS Omega, 2023
Eight Schiff bases, synthesized by the reaction of 4-aminoantipyrine with different cinnamaldehydes, were studied in the solid state by using vibrational spectroscopy (IR) and X-ray diffraction techniques.
Esteban Aguilar-Llanos, Saskya E. Carrera-Pacheco, Rebeca González‐Pastor, Johana Zúñiga-Miranda, Cristina Rodríguez-Pólit, Arianna Mayorga-Ramos, Linda P. Guamán, Juan Carlos Romero-Benavides, Carlos Cevallos-Morillo, Gustavo A. Echeverría, Oscar E. Piro, Christian D. Alcívar-León, Jorge Heredia‐Moya   +12 more
openalex   +2 more sources

Crystal structure and Hirshfeld surface analysis of 3-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-5,5-dimethylcyclohex-2-en-1-one [PDF]

Acta Crystallographica Section E: Crystallographic Communications
In the title compound, C18H21BrO3, which represents an isophorone (3,5,5-trimethyl-2-cyclohexen-1-one) derivative, the cyclohexene ring adopts a twist-boat conformation.
Muruganandham Rajkumar, Uthirapathi Rajapandiyan, Haridoss Manikandan, Velusamy Rajathi, Sivashanmugam Selvanayagam   +4 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

CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals

Journal of Applied Crystallography, 2021
CrystalExplorer is a native cross-platform program for the visualization and investigation of molecular crystal structures.
Peter R. Spackman, M. J. Turner, J. J. McKinnon, S. Wolff, D. Grimwood, D. Jayatilaka, M. Spackman   +6 more
semanticscholar   +1 more source