Cargando…

5-Amino-1H-benzimidazole-2(3H)-thione: molecular, crystal structure and Hirshfeld surface analysis

The title compound, C(7)H(7)N(3)S, which has potential biological activity, can be used as a ligand in metal complexation. This compound exists as the thione tautomer in the crystal phase, which is confirmed by the study of its molecular structure. The amino group has pyramidal configuration. In th...

Descripción completa

Detalles Bibliográficos
Autores principales:	Rakhmonova, Dilnoza, Gapurova, Lobar, Razzoqova, Surayyo, Kadirova, Shakhnoza, Torambetov, Batirbay, Kadirova, Zukhra, Shishkina, Svitlana
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	International Union of Crystallography 2022
Materias:	Research Communications
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8819443/ https://www.ncbi.nlm.nih.gov/pubmed/35145757 http://dx.doi.org/10.1107/S2056989022000792

Ejemplares similares

The molecular and crystal structures of 2-(3-hydroxypropyl)benzimidazole and its nitrate salt
por: Rakhmonova, Dilnoza, et al.
Publicado: (2022)

Synthesis, structure and Hirshfeld surface analysis of a coordination compound of cadmium acetate with 2-aminobenzoxazole
por: Razzoqova, Surayyo, et al.
Publicado: (2023)

Synthesis, crystal structure and Hirshfeld surface analysis of a zinc(II) coordination polymer of 5-phenyl-1,3,4-oxadiazole-2-thiolate
por: Pirimova, Mehribon, et al.
Publicado: (2022)

Bis(acetylacetonato-κ(2) O,O′)(2-amino-1-methyl-1H-benzimidazole-κN (3))oxidovanadium(IV)
por: Kadirova, Zukhra Ch., et al.
Publicado: (2009)

Molecular and crystal structure, Hirshfeld analysis and DFT investigation of 5-(furan-2-ylmethylidene)thiazolo[3,4-a]benzimidazole-2-thione
por: Khaldi, Hafsa, et al.
Publicado: (2020)

Fluorenonophane chlorobenzene solvate: molecular and crystal structures
por: Dyakonenko, Viktoriya V., et al.
Publicado: (2021)

Crystal structure of tetra-μ-acetato-bis[(5-amino-2-methylsulfanyl-1,3,4-thiadiazole-κN (1))copper(II)]
por: Torambetov, Batirbay, et al.
Publicado: (2019)

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

Molecular and crystal structure of methyl 4-methyl-2,2-dioxo-1H-2λ(6),1-benzothiazine-3-carboxylate
por: Shishkina, Svitlana, et al.
Publicado: (2018)

Syntheses, crystal structures and Hirshfeld surface analyses of four molecular salts of amitriptynol
por: Vinaya,, et al.
Publicado: (2023)

1H-Benzimidazole-2(3H)-thione
por: Wang, De-Cai, et al.
Publicado: (2009)

Ethyl 3,3,3-trifluoro-2-hydroxy-2-(5-methoxy-1H-indol-3-yl)propionate
por: Kadirova, Zukhra, et al.
Publicado: (2011)

Crystal and molecular structure of aflatrem
por: Lenta, Bruno N., et al.
Publicado: (2015)

Crystal and molecular structures of a binuclear mixed ligand complex of silver(I) with thiocyanate and 1H-1,2,4-triazole-5(4H)-thione
por: Kreaunakpan, Janjira, et al.
Publicado: (2020)

Crystal structure and molecular Hirshfeld surface analysis of acenaphthene derivatives obeying the chlorine–methyl exchange rule
por: Sribala, R., et al.
Publicado: (2019)

Crystal and molecular structure of 4-fluoro-1H-pyrazole at 150 K
por: Ahmed, Basil M., et al.
Publicado: (2023)

Molecular and crystal structure of 5,9-dimethyl-5H-pyrano[3,2-c:5,6-c′]bis[2,1-benzothiazin]-7(9H)-one 6,6,8,8-tetroxide dimethylformamide monosolvate
por: Rybalka, Andrii, et al.
Publicado: (2019)

1-Methyl-1H-benzimidazole-2(3H)-thione
por: Khan, Hizbullah, et al.
Publicado: (2008)

Synthesis, crystal structure and Hirshfeld surface analysis of (1H-benzimidazol-2-yl)(morpholin-4-yl)methanethione
por: Mutalliev, Lukmonjon Z., et al.
Publicado: (2022)

Bis(7-methoxy-1-methyl-4,9-dihydro-3H-β-carbolinium) tetrachloridozincate
por: Kadirova, Zukhra Ch., et al.
Publicado: (2010)

Crystal structure and void analysis of tris(2-amino-1-methylbenzimidazolium) hexakis(nitrato-κ(2) O,O′)lanthanate(III)
por: Ruzieva, Bakhtigul, et al.
Publicado: (2022)

Aminosilanes derived from 1H-benzimidazole-2(3H)-thione
por: Palomo-Molina, Juliana, et al.
Publicado: (2015)

Calixarene-based molecular capsule from olefin metathesis
por: Hailu, Shimelis T., et al.
Publicado: (2013)

MEMES: Machine learning framework for Enhanced MolEcular Screening
por: Mehta, Sarvesh, et al.
Publicado: (2021)

catena-Poly[[aqua(benzoato-κ(2) O,O′)(benzoic acid-κO)calcium]-μ(3)-benzoato-κ(4) O:O,O′:O′]
por: Azizov, Olimjon, et al.
Publicado: (2011)

Utilizing Hirshfeld surface calculations, non-covalent interaction (NCI) plots and the calculation of interaction energies in the analysis of molecular packing
por: Tan, Sang Loon, et al.
Publicado: (2019)

Perhydrobenzimidazole-2-thione
por: Liu, YingChun, et al.
Publicado: (2009)

Molecular structure of fac-[Mo(CO)(3)(DMSO)(3)]
por: Elvers, Benedict J., et al.
Publicado: (2021)

Iclaprim mesylate displaying a hydrogen-bonded molecular tape
por: Neuner, Sandro, et al.
Publicado: (2023)

1,3-Bis(ethoxymethyl)-1H-benzimidazole-2(3H)-thione
por: Rivera, Augusto, et al.
Publicado: (2010)

Molecular and crystal structure of gossypol tetramethyl ether with an unknown solvate
por: Honkeldieva, Muhabbat, et al.
Publicado: (2015)

Hirshfeld analysis and molecular docking with the RDR enzyme of 2-(5-chloro-2-oxoindolin-3-ylidene)-N-methylhydrazinecarbothioamide
por: Velasques, Jecika Maciel, et al.
Publicado: (2017)

Crystal structure, Hirshfeld surface analysis and frontier molecular orbital analysis of (E)-4-bromo-N′-(2,3-dichlorobenzylidene)benzohydrazide
por: Sivajeyanthi, Palaniyappan, et al.
Publicado: (2019)

Synthesis, molecular structure and Hirshfeld surface analysis of (4-methoxyphenyl)[2-(methylsulfanyl)thiophen-3-yl]methanone
por: Nagaraju, S., et al.
Publicado: (2018)

Different molecular conformations in the crystal structures of three 5-nitroimidazolyl derivatives
por: Osorio, Luis F. B., et al.
Publicado: (2018)

Four 1-aryl-1H-pyrazole-3,4-dicarboxylate derivatives: synthesis, molecular conformation and hydrogen bonding
por: Asma,, et al.
Publicado: (2018)

Crystal and molecular structures of fac-[Re(Bid)(PPh(3))(CO)(3)] [Bid is tropolone (TropH) and tribromotropolone (TropBr(3)H)]
por: Schutte-Smith, Marietjie, et al.
Publicado: (2022)

5,5-Dichloro-6-hydroxydihydropyrimidine-2,4(1H,3H)-dione: molecular and crystal structure, Hirshfeld surface analysis and the new route for synthesis with Mg(ReO(4))(2) as a new catalyst
por: Novikov, Anton P., et al.
Publicado: (2020)

5-[(E)-(2-Hydroxybenzylidene)amino]-1H-1,3-benzimidazole-2(3H)-thione
por: Tabassum, Zishan, et al.
Publicado: (2010)

Crystal structure, Hirshfeld analysis and molecular docking with the vascular endothelial growth factor receptor-2 of (3Z)-5-fluoro-3-(hydroxyimino)indolin-2-one
por: Martins, Bianca Barreto, et al.
Publicado: (2017)

Cannot write session to /tmp/vufind_sessions/sess_4ft5pvu7u1p1in1s234ptktfls