Cargando…

Crystal structure, Hirshfeld surface analysis and DFT studies of 1-benzyl-3-[(1-benzyl-1H-1,2,3-triazol-5-yl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one monohydrate

In the title molecule, C(24)H(21)N(5)O·H(2)O, the dihydrobenzodiazole moiety is not quite planar, while the whole molecule adopts a U-shaped conformation in which there is a close approach of the two benzyl groups. In the crystal, chains of alternating molecules and lattice water extending alo...

Descripción completa

Detalles Bibliográficos
Autores principales:	Saber, Asmaa, Sebbar, Nada Kheira, Hökelek, Tuncer, Labd Taha, Mohamed, Mague, Joel T., Hamou Ahabchane, Noureddine, Essassi, El Mokhtar
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/PMC6944078/ https://www.ncbi.nlm.nih.gov/pubmed/31921460 http://dx.doi.org/10.1107/S2056989019016876

Ejemplares similares

Crystal structure and Hirshfeld surface analysis of 1-benzyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
por: Saber, Asmaa, et al.
Publicado: (2018)

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 1-methyl-3-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
por: Saber, Asmaa, et al.
Publicado: (2019)

Crystal structure and Hirshfeld surface analysis of 1-{[2-oxo-3-(prop-1-en-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]methyl}-3-(prop-1-en-2-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
por: Saber, Asmaa, et al.
Publicado: (2018)

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 1-(1,3-benzothiazol-2-yl)-3-(2-hydroxyethyl)imidazolidin-2-one
por: Srhir, Mohamed, et al.
Publicado: (2020)

Crystal structure, Hirshfeld surface analysis, interaction energy and DFT studies of (2Z)-2-(2,4-dichlorobenzylidene)-4-nonyl-3,4-dihydro-2H-1,4-benzothiazin-3-one
por: Hni, Brahim, et al.
Publicado: (2020)

Crystal structure and Hirshfeld surface analysis of 1-[(1-butyl-1H-1,2,3-triazol-4-yl)methyl]-3-methylquinoxalin-2(1H)-one
por: Abad, Nadeem, et al.
Publicado: (2018)

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of (2Z)-4-benzyl-2-(2,4-dichlorobenzylidene)-2H-1,4-benzothiazin-3(4H)-one
por: Sebbar, Nada Kheira, et al.
Publicado: (2019)

Crystal structure and Hirshfeld surface analysis of ethyl 2-{4-[(3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate
por: Abad, Nadeem, et al.
Publicado: (2018)

4-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-2H-1,4-benzothiazin-3(4H)-one
por: Sebbar, Nada Kheira, et al.
Publicado: (2014)

Crystal structure, Hirshfeld surface analysis and DFT study of (2Z)-2-(2,4-dichlorobenzylidene)-4-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
por: Hni, Brahim, et al.
Publicado: (2019)

4-[(1-Benzyl-1,2,3-triazol-5-yl)methyl]-2H-1,4-benzothiazin-3(4H)-one
por: Sebbar, Nada Kheira, et al.
Publicado: (2014)

Crystal structure, Hirshfeld surface analysis and DFT study of (2Z)-2-(4-fluorobenzylidene)-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
por: Hni, Brahim, et al.
Publicado: (2019)

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 3-{(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}propanenitrile
por: Sebbar, Nada Kheira, et al.
Publicado: (2019)

Crystal structure, Hirshfeld surface analysis and interaction energy, DFT and antibacterial activity studies of ethyl 2-[(2Z)-2-(2-chlorobenzylidene)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetate
por: Sebbar, Ghizlane, et al.
Publicado: (2020)

1-[2-(2-Oxo-1,3-oxazolidin-3-yl)ethyl]-4-phenyl-1H-1,5-benzodiazepin-2(3H)-one
por: Ballo, Daouda, et al.
Publicado: (2010)

Crystal structure of (Z)-ethyl 2-{5-[(2-benzylidene-3-oxo-2,3-dihydrobenzo[b][1,4]thiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate
por: Ellouz, M., et al.
Publicado: (2015)

(2Z)-2-Benzylidene-4-(prop-2-yn-1-yl)-2H-1,4-benzothiazin-3(4H)-one
por: Sebbar, Nada Kheira, et al.
Publicado: (2014)

2-[1-(3-{2-[(2-Hydroxybenzylidene)amino]phenoxy}propyl)-1H-1,3-benzodiazol-2-yl]phenol
por: Keypour, Hassan, et al.
Publicado: (2011)

Polymorphic structures of 3-phenyl-1H-1,3-benzodiazol-2(3H)-one
por: Hong, Dabeen, et al.
Publicado: (2023)

Crystal structure, Hirshfeld surface analysis and interaction energy calculation of 1-decyl-2,3-dihydro-1H-benzimidazol-2-one
por: Ait Elmachkouri, Younesse, et al.
Publicado: (2021)

Crystal structure, Hirshfeld surface analysis and interaction energy, DFT and antibacterial activity studies of (Z)-4-hexyl-2-(4-methylbenzylidene)-2H-benzo[b][1,4]thiazin-3(4H)-one
por: Sebbar, Ghizlane, et al.
Publicado: (2020)

3-[2-(1H-1,3-Benzodiazol-2-yl)ethyl]-1,3-oxazolidin-2-one
por: Brancatelli, Giovanna, et al.
Publicado: (2011)

Ethyl 2-{5-[(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}acetate
por: Sebbar, Nada Kheira, et al.
Publicado: (2014)

5-Nitro-1-(prop-2-yn-1-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
por: Ouzidan, Younes, et al.
Publicado: (2012)

Crystal structure, Hirshfeld surface analysis and interaction energy calculation of 4-(furan-2-yl)-2-(6-methyl-2,4-dioxopyran-3-ylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
por: El Hafi, Mohamed, et al.
Publicado: (2021)

1-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]indoline-2,3-dione
por: Qachchachi, Fatima-Zahrae, et al.
Publicado: (2014)

1-Benzyl-3-methyl-3′,5′-diphenylspiro[quinoxaline-2(1H),2′(3′H)-1,3,4-thiadiazole]
por: Anothane, Caleb Ahoya, et al.
Publicado: (2011)

Crystal structure of (E)-2-benzylidene-4-[(3-phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2H-benzo[b][1,4]thiazin-3(4H)-one
por: Sebbar, Nada Kheira, et al.
Publicado: (2015)

Ethyl 2-(2-oxo-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-1-yl)acetate
por: Ballo, Daouda, et al.
Publicado: (2010)

2-(4-Bromophenyl)-1-ethyl-1H-1,3-benzodiazole
por: Dong, Su-Lan, et al.
Publicado: (2011)

2-(1H-1,3-Benzodiazol-2-ylsulfanyl)-1-(4-chlorophenyl)ethanone
por: Abdel-Aziz, Hatem A., et al.
Publicado: (2011)

5-({3-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzyl}sulfanyl)-1,3,4-thiadiazol-2-amine
por: Kang, Sung Kwon, et al.
Publicado: (2012)

Crystal structure and Hirshfeld surface analysis of (4Z)-1-butyl-4-(2-oxopropylidene)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
por: Chkirate, Karim, et al.
Publicado: (2018)

Crystal structure, Hirshfeld surface analysis, DFT and molecular docking investigation of 2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 2-[2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]quinoline-4-carboxylate
por: Bouzian, Younos, et al.
Publicado: (2021)

Crystal structure, Hirshfeld surface analysis, interaction energy and DFT studies of 4-[(4-allyl-2-methoxyphenoxy)methyl]-1-(4-methoxyphenyl)-1H-1,2,3-triazole
por: Taia, Abdelmaoujoud, et al.
Publicado: (2020)

Crystal structure of 4-benzyl-2H-benzo[b][1,4]thiazin-3(4H)-one
por: Sebbar, N. K., et al.
Publicado: (2015)

Crystal structure, Hirshfeld surface and crystal void analysis, intermolecular interaction energies, DFT calculations and energy frameworks of 2H-benzo[b][1,4]thiazin-3(4H)-one 1,1-dioxide
por: Irrou, Ezaddine, et al.
Publicado: (2023)

N-(5-Benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(piperidin-1-yl)acetamide
por: Ismailova, D. S., et al.
Publicado: (2014)

Synthesis, crystal structure and Hirshfeld surface analysis of 3-(4,4-dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-ylidene)-6-methyl-3,4-dihydro-2H-pyran-2,4-dione
por: Samba, Mohamed, et al.
Publicado: (2019)

3-[(1-Benzyl-1H-1,2,3-triazol-5-yl)methyl]-6-bromo-2-phenyl-3H-imidazo[4,5-b]pyridine
por: Ouzidan, Younes, et al.
Publicado: (2011)

Cannot write session to /tmp/vufind_sessions/sess_lk5hutdtf8iksqkue6hk1o2ib8