Crystal structure, spectroscopic characterization and DFT study of two new linear fused-ring chalcones

Crystal structure, spectroscopic characterization and DFT study of two new linear fused-ring chalcones

The structures of two new anthracenyl chalcones, namely (E)-1-(anthracen-9-yl)-3-(4-nitrophenyl)prop-2-en-1-one, C23H15NO3, and (E)-1-(anthracen-9-yl)-3-(4-iodophenyl)prop-2-en-1-one, C23H15IO are reported. A structural comparative study between the two chalcones was performed and some effects on th...

Full description

Bibliographic Details
Main Authors:	Dian Alwani Zainuri, Ibrahim Abdul Razak, Suhana Arshad
Format:	Article
Language:	English
Published:	International Union of Crystallography 2018-10-01
Series:	Acta Crystallographica Section E: Crystallographic Communications
Subjects:	chalcone crystal structure DFT molecular electrostatic potential
Online Access:	http://scripts.iucr.org/cgi-bin/paper?S2056989018012641

Similar Items

Structural, Hirshfeld and DFT studies of conjugated D–π–A carbazole chalcone crystal
by: Muhamad Fikri Zaini, et al.
Published: (2020-03-01)

The effect of the fused-ring substituent on anthracene chalcones: crystal structural and DFT studies of 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one and 1-(anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one
by: Dian Alwani Zainuri, et al.
Published: (2018-05-01)

Crystal structure and theoretical studies of two π-conjugated fused-ring chalcones: (E)-1-(anthracen-9-yl)-3-(9-ethyl-9H-carbazol-3-yl)prop-2-en-1-one and (E)-1-(anthracen-9-yl)-3-[4-(9H-carbazol-9-yl)phenyl]prop-2-en-1-one
by: Dian Alwani Zainuri, et al.
Published: (2018-09-01)

Crystal structure and optical properties of fused-ring chalcone (E)-3-(anthracen-9-yl)-1-(4-nitrophenyl)prop-2-en-1-one
by: Muhamad Fikri Zaini, et al.
Published: (2019-05-01)

Chalcone Based Colorimetric Sensor for Anions: Experimental and TD-DFT Study
by: Adita Silvia Fitriana, et al.
Published: (2016-03-01)

Crystal structure, spectroscopic and third-order nonlinear optical susceptibility of linear fused ring dichloro-substituent chalcone isomers
by: Zainuri, Dian Alwani, et al.
Published: (2018)

Crystal structure and DFT study of a zinc xanthate complex
by: Adnan M. Qadir, et al.
Published: (2019-11-01)

Single crystal analysis and DFT studies of the novel hybrid material-based on 2-hydroxypyridine and selenic acid
by: R. Bhavani, et al.
Published: (2024-01-01)

Crystal structure and optical spectroscopic analyses of (E)-3-(1H-indol-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one hemihydrate
by: Muhamad Fikri Zaini, et al.
Published: (2018-11-01)

Third Order Optical Nonlinearity Of Linear Fused Ring Dichloro-Substituent Chalcone Isomers
by: Abdullah, Mundzir, et al.
Published: (2019)

The Photovoltaic Performance of Sensitizers for Organic Solar Cells Containing Fluorinated Chalcones with Different Halogen Substituents
by: Siti Nabilla Aliya Mohd Nizar, et al.
Published: (2021-11-01)

Fused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores
by: Zainuri, Dian Alwani, et al.
Published: (2021)

Fused ring effect on optical nonlinearity and structure property relationship of anthracenyl chalcone based push-pull chromophores.
by: Dian Alwani Zainuri, et al.
Published: (2021-01-01)

DFT Study on the Reaction Mechanism of Cyclization of 2-Hydroxy Chalcone Catalyzed by Bronsted Acid with M06-2X Functional
by: Suci Zulaikha Hildayani, et al.
Published: (2021-12-01)

Synthesis, Crystal Structures, and Molecular Properties of Three Nitro-Substituted Chalcones
by: Alam Yair Hidalgo, et al.
Published: (2021-12-01)

Synthesis of prenylated chalcone /
by: Beh, Gein Khai, 1986-, et al.
Published: (2010)

Synthesis of methylated chalcone /
by: Ramlah Kabul, 1988-, et al.
Published: (2010)

Synthesis of imidazole and chalcones /
by: Izzuddin Mohd. Idris, 1994-, author, et al.
Published: (2018)

Synthesis of imidazole and chalcones /
by: Izzuddin Mohd. Idris, 1994-, author, et al.
Published: (2018)

An ab initio simulation of the UV/Visible spectra of substituted chalcones
by: Xue Yunsheng, et al.
Published: (2010-08-01)

Structure and Physical Properties of Cardamonin: A Spectroscopic and Computational Approach
by: Iwona Budziak, et al.
Published: (2020-09-01)

Advances in the Synthesis of Heteroaromatic Hybrid Chalcones
by: Ajay Mallia, et al.
Published: (2023-04-01)

Synthesis of chalcones and its derivatives /
by: Venothini Appu, 1985-, et al.
Published: (2010)

Molecular Mechanism of the Piezoelectric Response in the β-Phase PVDF Crystals Interpreted by Periodic Boundary Conditions DFT Calculations
by: Gianluca Serra, et al.
Published: (2023-08-01)

Synthesis, spectral analysis, DFT studies and Biological application of (E)-3-benzylidene-9-methyl-1,2,3,9-tetrahydro-4H-carbazol-4-one
by: Rathinam Sankar, et al.
Published: (2024-06-01)

Anticancer Indole-Based Chalcones: A Structural and Theoretical Analysis
by: Farid A. Badria, et al.
Published: (2019-10-01)

Synthesis and characterization of some chalcones and their cyclohexenone derivatives
by: Sreevidya Thekke, et al.
Published: (2010-02-01)

Formation of Prenylated Chalcone Xanthohumol Cocrystals: Single Crystal X-Ray Diffraction, Vibrational Spectroscopic Study Coupled with Multivariate Analysis
by: Iwona Budziak, et al.
Published: (2019-11-01)

Synthesis of chalcones and its derivatives [electronic resource] /
by: Venothini Appu, 1985-, et al.
Published: (2010)

Antioxidant Activities of Alkyl Substituted Pyrazine Derivatives of Chalcones—In Vitro and In Silico Study
by: Višnja Stepanić, et al.
Published: (2019-04-01)

Chemosensitization of multidrug resistant Candida albicans by the oxathiolone fused chalcone derivatives
by: Izabela eŁącka, et al.
Published: (2015-08-01)

Synthesis and DFT Calculations of Novel Vanillin-Chalcones and Their 3-Aryl-5-(4-(2-(dimethylamino)-ethoxy)-3-methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde Derivatives as Antifungal Agents
by: Luis Alberto Illicachi, et al.
Published: (2017-09-01)

A quinoline-benzotriazole derivative: Synthesis, crystal structure and characterization by using spectroscopic, DFT and molecular docking methods
by: Banacer Himmi, et al.
Published: (2023-01-01)

Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one
by: Nur Hafiq Hanif Hassan, et al.
Published: (2016-05-01)

Crystal structure of (E)-1-(3-chlorophenyl)-3-(furan-2-yl)prop-2-en-1-one
by: Sarah K. Zingales, et al.
Published: (2015-10-01)

Synthesis of chalcones catalysed by SOCI2/EtOH/
by: Hu, Zihiguo, et al.

Crystal structure and Hirshfeld surface analysis of a chalcone derivative: (E)-3-(4-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
by: Qin Ai Wong, et al.
Published: (2019-01-01)

Natural Chalcones and Derivatives in Colon Cancer: Pre-Clinical Challenges and the Promise of Chalcone-Based Nanoparticles
by: Soufyane Hba, et al.
Published: (2023-12-01)

The synthesis, crystal structure and spectroscopic analysis of (E)-3-(4-chlorophenyl)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)prop-2-en-1-one
by: Vinaya, et al.
Published: (2023-07-01)

Synthesis of heterocyclie chalcones and their novel pyrazoline derivatives /
by: Liew, Suk Ming, 1990-, et al.
Published: (2015)