A quantitative study of weak noncovalent interactions in two pyridine isomers containing nitrile and thiophene moieties: a combined X-ray and theoretical investigation

被引：0

作者：

Mani Udayakumar

Margarita Cerón

Paulina Ceballos

Perumal Venkatesan

M Judith Percino

Subbiah Thamotharan

机构：

[1] SASTRA Deemed University,Biomolecular Crystallography Laboratory, Department of Bioinformatics, School of Chemical and Biotechnology

[2] Benemérita Universidad Autónoma de Puebla,Unidad de Polímeros y Electrónica Orgánica, Instituto de Ciencias

来源：

Journal of Chemical Sciences | 2019年 / 131卷

关键词：

Pyridine; nitrile; thiophene; PIXEL; QTAIM; MESP;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

引用

共 15 条

[1] A quantitative study of weak noncovalent interactions in two pyridine isomers containing nitrile and thiophene moieties: a combined X-ray and theoretical investigation
Udayakumar, Mani
Ceron, Margarita
Ceballos, Paulina
Venkatesan, Perumal
Judith Percino, M.
Thamotharan, Subbiah
JOURNAL OF CHEMICAL SCIENCES, 2019, 131 (07)
[2] Interplay of weak noncovalent interactions in two conjugated positional isomers: A combined X-ray, optical properties and theoretical investigation
Udayakumar, Mani
Ceron, Margarita
Ceballos, Paulina
Percino, M. Judith
Thamotharan, Subbiah
JOURNAL OF MOLECULAR STRUCTURE, 2019, 1195 : 32 - 42
[3] X-ray study of weak interactions in two flavonoids
Deepak Sharma
Vivek K. Gupta
Goutam Brahmachari
Sadhan Mondal
Arindam Gangopadhyay
Bulletin of Materials Science, 2007, 30 : 469 - 475
[4] X-ray study of weak interactions in two flavonoids
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Gupta, Vivek K.
Brahmachari, Goutam
Mondal, Sadhan
Gangopadhyay, Arindam
BULLETIN OF MATERIALS SCIENCE, 2007, 30 (05) : 469 - 475
[5] Exploring weak intermolecular interactions in two bis-1,3,4-oxadiazoles derivatives: A combined X-ray diffraction, Hirshfeld surface analysis and theoretical studies
Ahmed, Muhammad Naeem
Nadeem, Komal
Andleeb, Hina
Sheikhi, Masoome
Majeed, Zahid
Shah, Syed Wadood Ali
Tahir, Muhammad Nawaz
Rocha, Mariana
Gil, Diego M.
JOURNAL OF MOLECULAR STRUCTURE, 2021, 1232
[6] Structural and energetics of weak non-covalent interactions in two chemically distinct classes of O/N-heterocycles: X-ray and theoretical exploration
Thamotharan, Subbiah
Kumari, Subramaniyan Prasanna
Ganesan, Subramaniapillai Selva
Kumar, Shankar Madan
Percino, M. Judith
Lokanath, Neratur Krishnappagowda
JOURNAL OF MOLECULAR STRUCTURE, 2021, 1227
[7] Investigation of X-ray crystal structure and in vitro cytotoxicity of two Ga(III) complexes containing pyridine dicarboxylic acid derivatives and 2-aminobenzimidazole
Aliabadi, Alireza
Hakimi, Mohammad
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Motieiyan, Elham
Nunes Rodrigues, Vitor Hugo
Ghadermazi, Mohammad
Marabello, Domenica
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JOURNAL OF MOLECULAR STRUCTURE, 2021, 1223
[8] Preparation and investigation of the A-site and B-site terminated SrTiO3(001) surface: A combined experimental and theoretical x-ray photoelectron diffraction study
Raisch, C.
Chasse, T.
Langheinrich, Ch
Chasse, A.
JOURNAL OF APPLIED PHYSICS, 2012, 112 (07)
[9] Identification and H(D)-bond energies of C-H(D)•••Cl interactions in chloride-haloalkane clusters: a combined X-ray crystallographic, spectroscopic, and theoretical study
Serebryanskaya, Tatiyana V.
Novikov, Alexander S.
Gushchin, Pavel V.
Haukka, Matti
Asfin, Ruslan E.
Tolstoy, Peter M.
Kukushkin, Vadim Yu.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016, 18 (20) : 14104 - 14112
[10] A combined experimental and theoretical study of dinitrosyl iron complexes containing chelating bis(diphenyl)phosphinoX (X = benzene, propane and ethylene): X-ray crystal structures and properties influenced by the presence or absence of π-bonds in chelating ligands
Holloway, Lauren R.
Clough, Andrew J.
Li, Jessica Y.
Tao, Emily L.
Tao, Fu-Ming
Li, Lijuan
POLYHEDRON, 2014, 70 : 29 - 38

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