Literature DB >> 25434690

Observation of a reversible isomorphous phase transition and an interplay of "σ-holes" and "π-holes" in Fmoc-Leu-ψ[CH2-NCS].

Rumpa Pal1, Govindappa Nagendra, M Samarasimhareddy, Vommina V Sureshbabu, Tayur N Guru Row.   

Abstract

Fmoc-Leu-ψ[CH2NCS] undergoes a reversible isomorphous phase transition upon cooling. The crystal structure at 100 K displays a short N=C=S···N=C=S intermolecular interaction, which has been characterized based on experimental charge density analysis, as a stabilizing interaction with both σ-holes and π-holes acting cooperatively.

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Year:  2014        PMID： 25434690     DOI： 10.1039/c4cc08751h

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  7 in total

1.  Hemiaminal route for the formation of interstellar glycine: a computational study.

Authors:  Zanele P Nhlabatsi; Priya Bhasi; Sanyasi Sitha
Journal:  J Mol Model       Date:  2019-11-09       Impact factor: 1.810

Review 2.  The Relevance of Experimental Charge Density Analysis in Unraveling Noncovalent Interactions in Molecular Crystals.

Authors:  Sajesh P Thomas; Amol G Dikundwar; Sounak Sarkar; Mysore S Pavan; Rumpa Pal; Venkatesha R Hathwar; Tayur N Guru Row
Journal:  Molecules       Date:  2022-06-08       Impact factor: 4.927

3.  C70 Fullerene Cage as a Novel Catalyst for Efficient Proton Transfer Reactions between Small Molecules: A Theoretical study.

Authors:  Pradeep R Varadwaj; Arpita Varadwaj; Helder M Marques
Journal:  Sci Rep       Date:  2019-07-23       Impact factor: 4.379

Review 4.  The Phosphorus Bond, or the Phosphorus-Centered Pnictogen Bond: The Covalently Bound Phosphorus Atom in Molecular Entities and Crystals as a Pnictogen Bond Donor.

Authors:  Pradeep R Varadwaj; Arpita Varadwaj; Helder M Marques; Koichi Yamashita
Journal:  Molecules       Date:  2022-02-23       Impact factor: 4.411

5.  π-Hole bonding in a new co-crystal hydrate of gallic acid and pyrazine: static and dynamic charge density analysis.

Authors:  Rumpa Pal; Christian Jelsch; Koichi Momma; Simon Grabowsky
Journal:  Acta Crystallogr B Struct Sci Cryst Eng Mater       Date:  2022-03-23

6.  Exploring the simultaneous σ-hole/π-hole bonding characteristics of a Br⋯π interaction in an ebselen derivative via experimental and theoretical electron-density analysis.

Authors:  Rahul Shukla; Nicolas Claiser; Mohamed Souhassou; Claude Lecomte; Shah Jaimin Balkrishna; Sangit Kumar; Deepak Chopra
Journal:  IUCrJ       Date:  2018-09-01       Impact factor: 4.769

Review 7.  Noncovalent Bonds through Sigma and Pi-Hole Located on the Same Molecule. Guiding Principles and Comparisons.

Authors:  Wiktor Zierkiewicz; Mariusz Michalczyk; Steve Scheiner
Journal:  Molecules       Date:  2021-03-20       Impact factor: 4.411
  7 in total

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