Cargando…

Structural, Hirshfeld and DFT studies of conjugated D–π–A carbazole chalcone crystal

A new conjugated carbazole chalcone compound, (E)-3-[4-(9,9a-dihydro-8aH-carbazol-9-yl)phenyl]-1-(4-nitrophenyl)prop-2-en-1-one (CPNC), C(27)H(18)N(2)O(3), was synthesized using a Claisen–Schmidt condensation reaction. CPNC crystallizes in the monoclinic non-centrosymmetric space group Cc and ad...

Descripción completa

Detalles Bibliográficos
Autores principales:	Zaini, Muhamad Fikri, Razak, Ibrahim Abdul, Khairul, Wan Mohd, Arshad, Suhana
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	International Union of Crystallography 2020
Materias:	Research Communications
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7057368/ https://www.ncbi.nlm.nih.gov/pubmed/32148881 http://dx.doi.org/10.1107/S2056989020002054

Ejemplares similares

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

Crystal structure, Hirshfeld surface analysis and DFT studies of (E)-1-(4-bromophenyl)-3-(3-fluorophenyl)prop-2-en-1-one
por: Zaini, Muhamad Fikri, et al.
Publicado: (2019)

Molecular structure, DFT studies and Hirshfeld analysis of anthracenyl chalcone derivatives
por: Zainuri, Dian Alwani, et al.
Publicado: (2018)

(E)-1-(Benzo[d][1,3]dioxol-5-yl)-3-([2,2′-bithiophen]-5-yl)prop-2-en-1-one: crystal structure, UV–Vis analysis and theoretical studies of a new π-conjugated chalcone
por: Anizaim, Ainizatul Husna, et al.
Publicado: (2019)

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

Comparative analyses of new donor-π-acceptor ferrocenyl-chalcones containing fluoro and methoxy-fluoro acceptor units as synthesized dyes for organic solar cell material
por: Anizaim, Ainizatul Husna, et al.
Publicado: (2020)

Crystal structures, DFT studies and UV–visible absorption spectra of two anthracenyl chalcone derivatives
por: Zainuri, Dian Alwani, et al.
Publicado: (2018)

Crystal structure, spectroscopic characterization and DFT study of two new linear fused-ring chalcones
por: Zainuri, Dian Alwani, et al.
Publicado: (2018)

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
por: Zainuri, Dian Alwani, et al.
Publicado: (2018)

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

Synthesis, X-Ray Structure, Hirshfeld Surface Analysis, DFT Calculations, and Molecular Docking Studies of Nickel(II) Complex with Thiosemicarbazone Derivative
por: Osman, Uwaisulqarni M., et al.
Publicado: (2021)

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
por: Zainuri, Dian Alwani, et al.
Publicado: (2018)

(E)-1,3-Bis(anthracen-9-yl)prop-2-en-1-one: crystal structure and DFT study
por: Zainuri, Dian Alwani, et al.
Publicado: (2018)

A Dual Approach on Experimental, Theoretical Insight of Structural Elucidation, Hirshfeld Surface Analysis, Optical and Electrochemical Properties of Acyl Thiourea-Ethynyl Hybrid Derivatives
por: Daud, Adibah Izzati, et al.
Publicado: (2022)

Molecular structure, DFT studies and UV–Vis absorption of two new linear fused ring chalcones: (E)-1-(anthracen-9-yl)-3-(2-methoxyphenyl)prop-2-en-1-one and (E)-1-(anthracen-9-yl)-3-(3-fluoro-4-methoxyphenyl)prop-2-en-1-one
por: Zainuri, Dian Alwani, et al.
Publicado: (2018)

Crystal structure, DFT study and Hirshfeld surface analysis of ethyl 6-chloro-2-ethoxyquinoline-4-carboxylate
por: Bouzian, Younos, et al.
Publicado: (2019)

(E)-1-(Anthracen-9-yl)-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis
por: Abdullah, Amzar Ahlami, et al.
Publicado: (2016)

Crystal structure and Hirshfeld analysis of 3′-bromo-4-methylchalcone and 3′-cyano-4-methylchalcone
por: Battaglia, Zachary O., et al.
Publicado: (2020)

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

Efficient Colorimetric Fluoride Anion Sensor Based on π-Conjugated Carbazole Small Molecule
por: Deng, Zhifeng, et al.
Publicado: (2021)

Crystal structure, Hirshfeld surface and photophysical analysis of 2-nitro-3-phenyl-9H-carbazole
por: Singh, Neetu, et al.
Publicado: (2021)

A Symmetrically π‐Expanded Carbazole Incorporating Fluoranthene Moieties
por: Vogel, Alexander, et al.
Publicado: (2022)

Crystal structures and Hirshfeld surface analyses of hypoxanthine salts involving 5-sulfosalicylate and perchlorate anions
por: Sathya, Udhayasuriyan, et al.
Publicado: (2022)

1-(5-Benzylsulfanyl-2,2-dimethyl-2,3-dihydro-1,3,4-thiadiazol-3-yl)-2,2-dimethylpropan-1-one
por: Yusof, Mohd Sukeri Mohd, et al.
Publicado: (2012)

A study of the crystal structures, supramolecular patterns and Hirshfeld surfaces of bromide salts of hypoxanthine and xanthine
por: Sathya, Udhayasuriyan, et al.
Publicado: (2022)

Crystal structure, Hirshfeld surface analysis, interaction energy, and DFT studies of cholesteryl heptanoate
por: Akduran, Nurcan, et al.
Publicado: (2021)

DFT and IsoStar Analyses to Assess the Utility of σ‐ and π‐Hole Interactions for Crystal Engineering
por: Mooibroek, Tiddo Jonathan
Publicado: (2020)

N-(2,6-Dimethylphenyl)-N′-propanoylthiourea
por: Yusof, Mohd Sukeri Mohd, et al.
Publicado: (2012)

Synthesis and Photophysical, Electrochemical, and DFT Studies of Piperidyl and Pyrrolidinyl Chalcones
por: Baig, Humera, et al.
Publicado: (2023)

1-(2-Bromophenyl)-3-(4-chlorobutanoyl)thiourea
por: Yusof, Mohd Sukeri Mohd, et al.
Publicado: (2012)

N-(4-Chlorobutanoyl)-N′-[2-(trifluoromethyl)phenyl]thiourea
por: Yusof, Mohd Sukeri Mohd, et al.
Publicado: (2012)

Non-Doped Deep-Blue OLEDs Based on Carbazole-π-Imidazole Derivatives
por: Yu, Pengfei, et al.
Publicado: (2021)

Synthesis, Covalency Sequence, and Crystal Features of Pentagonal Uranyl Acylpyrazolone Complexes along with DFT Calculation and Hirshfeld Analysis
por: Travadi, Maitrey, et al.
Publicado: (2022)

Crystal structure determination, Hirshfeld surface analysis and energy frameworks of 6-phenylsulfonyl-6H-thieno[3,2-c]carbazole
por: Mohamooda Sumaya, U., et al.
Publicado: (2018)

N-[(3-Ethylphenyl)carbamothioyl]-2,2-diphenylacetamide
por: Yusof, Mohd Sukeri Mohd, et al.
Publicado: (2013)

2,2-Diphenyl-N-{[2-(trifluoromethyl)phenyl]carbamothioyl}acetamide
por: Yusof, Mohd Sukeri Mohd, et al.
Publicado: (2013)

N-[(2,6-Diethylphenyl)carbamothioyl]-2,2-diphenylacetamide
por: Yusof, Mohd Sukeri Mohd, et al.
Publicado: (2013)

Crystal structure and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate
por: Jeevaraj, Muthaiah, et al.
Publicado: (2017)

l-Isoleucine-Schiff Base Copper(II) Coordination Polymers: Crystal Structure, Spectroscopic, Hirshfeld Surface, and DFT Analyses
por: Chavez-Urias, Iván F., et al.
Publicado: (2023)

Chitosan Catalyzed Novel Piperidinium Dicoumarol: Green Synthesis, X-ray Diffraction, Hirshfeld Surface and DFT Studies
por: Asad, Mohammad, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_5ra5ri7v7r5942djrvk646fe9a