Journal Article

PUBDB-2018-05909

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Quantifying intermolecular interactions for isoindole derivatives: substituent effect vs. crystal packing

Checinska, L. (Corresponding author)Extern* ; Jóźwiak, A. ; Ciechańska, M. ; Paulmann, C.Extern* ; Holstein, J. ; Dittrich, B. ; Małecka, M.

2018
De Gruyter Berlin

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Please use a persistent id in citations: doi:10.1515/zkri-2018-2076  doi:10.3204/PUBDB-2018-05909

Abstract: The aim of the study was to examine noncovalent interactions in considerably different crystal packings of three isoindole compounds. Their structures were compared to three other closely-related derivatives described earlier in the literature. Here we discuss the crystal structures in the context of the hydrogen-bonded motifs and other weak interactions. The hierarchy of investigated intermolecular interactions was examined in a quantitative manner through pairwise interaction energies and energy framework analysis.

Note: ©2018 Walter de Gruyter GmbH, Berlin/Boston.

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Contributing Institute(s):

1. DOOR-User (DOOR)

Research Program(s):

1. 899 - ohne Topic (POF3-899) (POF3-899)
2. FS-Proposal: I-20090042 EC (I-20090042-EC) (I-20090042-EC)

Experiment(s):

1. DORIS Beamline F1 (DORIS III)

Appears in the scientific report 2018

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Database coverage:
; ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Web of Science Core Collection

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