Verification and Quantification of the Synthons Approach on the Basis of Cocryst

Verification and Quantification of the Synthons Approach on the Basis of Cocrystals of Dihydroxybenzoic Acids with N-donor Heterocyclic Compounds.

2011/03/N/ST4/02943

Keywords

Descriptors

ST4_4: Struktura i architektura molekularna
ST4_15: Chemia teoretyczna i obliczeniowa

Panel

ST4 – Chemistry: physical chemistry/chemical physics, theoretical chemistry, analytical chemistry, inorganic chemistry, organic chemistry, method development

Host institution

Uniwersytet Warszawski, Wydział Chemii

Voivodeship: mazowieckie

Other projects carried out by the institution »

Principal investigator (from the host institution)

dr Anna Agnieszka Hoser

Number of co-investigators in the project: 3

Call

PRELUDIUM 2 – announced on 2011-09-15

Amount awarded: 173 680 PLN
Project start date: 2012-09-17
Project end date: 2015-03-16
Project duration: 30 months (the same as in the proposal)
Project status: Project settled

Equipment purchased [PL]

Komputer stacjonarny. Cost: 6 500 PLN

Information in the final report

Publication in academic press/journals (3)

Structural and Energetic Analysis of Molecular Assemblies in a Series of Nicotinamide and Pyrazinamide Cocrystals with Dihydroxybenzoic Acids

Authors:
Katarzyna N. Jarzembska, Anna A. Hoser, Sunil Varughese, Radosław Kamiński, Maura Malinska, Marcin Stachowicz, Venkatesvara R. Pedireddi, Krzysztof Woźniak

Academic press:
Crystal Growth & Design (year: 2017, volume: 17, pages: 4918−4931), Publisher: ACS

Status:
Published

DOI:
10.1021/acs.cgd.7b00868 – link to the publication
Combined experimental and computational studies of pyrazinamide and nicotinamide in the context of crystal engineering and thermodynamics

Authors:
Katarzyna N. Jarzembska, Anna A. Hoser, Radosław Kamiński, Anders Ø. Madsen, Krzysztof Durka, Krzysztof Woźniak

Academic press:
Crystal Growth & Design (year: 2014, volume: 14, pages: 3453-3465), Publisher: ACS

Status:
Published

DOI:
10.1021/cg500376z – link to the publication
Positional isomerism and conformational flexibility directed structural variations in the molecular complexes of dihydroxybenzoic acids

Authors:
Sunil Varughese, Anna A. Hoser, Katarzyna N. Jarzembska, V. R. Pedireddi and Krzysztof Woźniak

Academic press:
Crystal Growth & Design (year: 2015, volume: 15, pages: 3832–3841), Publisher: ACS

Status:
Published

DOI:
10.1021/acs.cgd.5b00471 – link to the publication

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