Zobrazeno 1 - 10
of 45
pro vyhledávání: '"M. Sethuram"'
Publikováno v:
Acta Crystallographica Section E, Vol 69, Iss 8, Pp o1301-o1302 (2013)
The title compound, C14H20N4O4·0.5H2O [systematic name: (2S)-5-{[amino(iminiumyl)methyl]amino}-2-{[(1Z)-4-methoxy-2-oxidobenzylidene]azaniumyl}pentanoate hemihydrate], has been synthesized by the reaction of l-arginine and 4-methoxysalicylaldehyde a
Externí odkaz:
https://doaj.org/article/d1bb2fed92c64ab99e4a79e61a3a9c14
Publikováno v:
Acta Crystallographica Section E, Vol 69, Iss 6, Pp o957-o958 (2013)
In the title molecular salt, C6H11N3O22+·2C6H2N3O7−·2H2O, the histidine molecule exists as a histidinium dication, being protonated at the N atom of the imidazole ring. The charges are balanced by two picrate anions and the compound crystallizes
Externí odkaz:
https://doaj.org/article/35d84abc28034e18a7334b73e665cb09
Publikováno v:
Polycyclic Aromatic Compounds. :1-22
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9a5c00870a378c66a0859e654a66e9a0
https://doi.org/10.1080/10406638.2022.2138923
https://doi.org/10.1080/10406638.2022.2138923
Publikováno v:
Toxicology Research. 8:421-431
A small organic molecule, bis(pyrazolium p-toluenesulphonate) (BPPTS), was crystallized, characterized and used to scavenge free radicals in biological systems. SXRD and spectroscopic analyses were used to confirm the structure of BPPTS. Methanolic a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f5dacec72125fe388cafe5a195659d7e
https://doi.org/10.1039/c8tx00258d
https://doi.org/10.1039/c8tx00258d
Publikováno v:
Journal of Molecular Liquids. 351:118687
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::98521ad98469cccffa659637719d572e
https://doi.org/10.1016/j.molliq.2022.118687
https://doi.org/10.1016/j.molliq.2022.118687
Publikováno v:
Current Applied Physics. 18:774-784
Two triazole crystals, namely 1H-1,2,3-triaol-3-ium 2,4,6-trinitrophenolate (TZP) and 1H-1,2,3-triazole: 3,5-dinitrobenzoic acid (TZDBA) were investigated by using DFT and TD-DFT methods to identify the nature and influence of molecular interactions
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::77e039cdb40c7912654326e81732eeae
https://doi.org/10.1016/j.cap.2018.03.005
https://doi.org/10.1016/j.cap.2018.03.005
Publikováno v:
Journal of Molecular Structure. 1128:290-299
Antibiotic and antimicrobial compound O-Tolyl Biguanide (OTB) structure was calculated at the B3LYP using 6-311++G(d,p) basis set level of theory. Optimized geometric bond lengths, bond angles and dihedral angles of the molecule were calculated and a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0cb8a329c2ea774d447e742dae1480d1
https://doi.org/10.1016/j.molstruc.2016.08.060
https://doi.org/10.1016/j.molstruc.2016.08.060
Publikováno v:
Journal of Molecular Structure. 1221:128788
An organic crystal, 4-bromoanilinium 2,4-dinitrobenzoate (BDNB), was synthesized and crystallized by slow evaporation method. The formation of the compound was confirmed by analyzing vibrational frequencies of differentfunctional groups by FT-IR spec
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e12b6dd5bd3b7a8afb021ef3058c7c3b
https://doi.org/10.1016/j.molstruc.2020.128788
https://doi.org/10.1016/j.molstruc.2020.128788
Publikováno v:
Journal of Photochemistry and Photobiology B: Biology. 163:352-365
Biologically active Lewis acid-base compound, pyrazolium 3-nitro phthalate (P3NP) has been synthesized and crystallized by slow evaporation - solution method at 30°C. Spectral and single crystal X-Ray diffraction (XRD) were used to characterize the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::517ee3279abd3c42ce5cb06e2b30315f
https://doi.org/10.1016/j.jphotobiol.2016.08.045
https://doi.org/10.1016/j.jphotobiol.2016.08.045
Publikováno v:
Journal of Molecular Structure. 1122:146-156
A set of four nitrogen containing heterocyclic organic compounds was synthesised in which enormous non-covalent interactions along with intensive hydrogen bonding were present. The crystal structures of four crystals, namely, 1H-2-3H-triazolium picra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a78ec1d844ce255874c35d9b1d04dd6f
https://doi.org/10.1016/j.molstruc.2016.05.083
https://doi.org/10.1016/j.molstruc.2016.05.083