Spectroscopic, X‐Ray Crystallographic, and Hirshfeld Surface Analyses for the Investigation of Intermolecular Interactions in Carboxamide Hydrazone Hybrids
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DOI: 10.1002/open.202500276
Abstract: The current study reports a convenient synthetic approach to carboxamide hydrazone hybrids 2a, b. Their chemical structures are investigated using infrared, nuclear magnetic resonance, and mass spectroscopies. In addition, the 3D structure of 2a is… read more here.
Keywords: crystallographic hirshfeld; carboxamide hydrazone; ray crystallographic; hydrazone hybrids ... See more keywords
X-Ray Crystallographic Studies of G-Quadruplex Structures.
Sign Up to like & getrecommendations! Published in 2019 at "Methods in molecular biology"
DOI: 10.1007/978-1-4939-9666-7_8
Abstract: The application of X-ray crystallographic methods toward a structural understanding of G-quadruplex (G4) motifs at atomic level resolution can provide researchers with exciting opportunities to explore new structural arrangements of putative G4 forming sequences and… read more here.
Keywords: ray crystallographic; crystallization trials; crystallization; crystallographic studies ... See more keywords
A synthesis, X-ray crystallographic and vibrational studies of guanidinium o-nitrobenzoate hydrate. New NLO crystal in guanidinium nitrobenzoate family
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2018.02.077
Abstract: Abstract According to literature data the two crystals are known: guanidinium m-nitrobenzoate and guanidinium p-nitrobenzoate. Both compounds belong to noncetrosymmetric crystallographic systems are consider as second order generators in nonlinear optic (NLO). For each of… read more here.
Keywords: nitrobenzoate hydrate; guanidinium nitrobenzoate; ray crystallographic; vibrational studies ... See more keywords
FL-Online: An x-ray crystallographic web-server for atomic-scale structure analysis of biomolecule
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DOI: 10.1088/1674-1056/ad47e5
Abstract: FL-Online (http://fanlab.ac.cn) is an out-of-box modern web service featuring a user-friendly interface and simplified parameters, providing academic users with access to a series of online programs for biomolecular crystallography, including SAPI-online, OASIS-online, C-IPCAS-online and a… read more here.
Keywords: web server; ray crystallographic; online; web ... See more keywords
Preparation, spectroscopic, X-ray crystallographic, DFT, antimicrobial and ADMET studies of N-[(4-flourophenyl)sulfanyl]phthalimide.
Sign Up to like & getrecommendations! Published in 2023 at "Acta crystallographica. Section C, Structural chemistry"
DOI: 10.1107/s2053229623003418
Abstract: N-[(4-Fluorophenyl)sulfanyl]phthalimide (C14H8FNO2S, FP) was synthesized and characterized using X-ray crystallography. It was then investigated via quantum chemical analysis using the density functional theory (DFT) approach, as well as spectrochemically using FT-IR and 1H and 13C… read more here.
Keywords: spectroscopic ray; sulfanyl phthalimide; dft; ray crystallographic ... See more keywords
X-ray crystallographic structure of a novel enantiopure chiral isothiourea with potential applications in enantioselective synthesis.
Sign Up to like & getrecommendations! Published in 2024 at "Acta crystallographica. Section C, Structural chemistry"
DOI: 10.1107/s2053229623010781
Abstract: The synthesis of a chiral isothiourea, namely, (4aR,8aR)-3-phenyl-4a,5,6,7,8,8a-hexahydrobenzo[4,5]imidazo[2,1-b]thiazol-9-ium bromide, C15H17N2S+·Br-, with potential organocatalytic and anti-inflammatory activity is reported. The preparation of the heterocycle of interest was carried out in two high-yielding steps. The hydrobromide salt… read more here.
Keywords: structure novel; crystallographic structure; ray crystallographic; chiral isothiourea ... See more keywords