Literature DB >> 21580409

2,25-Dioxo-27,28-diphenyl-30-oxa-29-thia-3,10,17,24-tetra-aza-penta-cyclo-[24.2.1.1.0.0]triaconta-5,7,9(4),10,12,14,16,18,20,22,26,28-dodeca-ene chloro-form disolvate.

Rizvan K Askerov, Vladimir V Roznyatovsky, Evgeny A Katayev, Abel M Maharramov, Victor N Khrustalev.   

Abstract

The macrocycle of the title compound, C(36)H(24)N(4)O(3)S·2CHCl(3), contains a rigid framework with the nitro-gen and oxygen heteroatoms pointing in towards the center of the macrocyclic cavity. The macrocycle is essentially planar (r.m.s. deviation = 0.027 Å) except for the thio-phene ring. The dihedral angle between the thio-phene ring plane and the mean plane of the central macrocyclic core including all atoms except sulfur is 21.6 (1)°. Four intra-molecular hydrogen bonds occur: two are between the amide hydrogen atoms and the Schiff base nitro-gen atoms, while the others are between the amide hydrogen atoms and the sulfur atom of the thio-phene. The two solvate chloro-form mol-ecules are bound to the carbonyl oxygen atoms of the ligand by weak C-H⋯O hydrogen bonding. In addition, the structure reveals inter-molecular Cl⋯Cl close contacts [3.308 (2), 3.404 (2) and 3.280 (2) Å] between the chloro-form solvate mol-ecules. In the crystal, the macrocycles form layers parallel to (101), with an inter-layer distance of 3.362 (3) Å. This short distance is determined by the stacking inter-actions between the amide carbonyl and imine fragments of neighboring ligands.

Entities:  

Year:  2010        PMID: 21580409      PMCID: PMC2983673          DOI: 10.1107/S1600536810006173

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


  5 in total

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Authors:  Jonathan L Sessler; Evgeny Katayev; G Dan Pantos; Pavel Scherbakov; Marina D Reshetova; Victor N Khrustalev; Vincent M Lynch; Yuri A Ustynyuk
Journal:  J Am Chem Soc       Date:  2005-08-17       Impact factor: 15.419

2.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

3.  Anion receptor chemistry: highlights from 2007.

Authors:  Claudia Caltagirone; Philip A Gale
Journal:  Chem Soc Rev       Date:  2008-12-10       Impact factor: 54.564

4.  Synthesis and anion binding properties of 2,5-diamidothiophene polypyrrole Schiff base macrocycles.

Authors:  Jonathan L Sessler; Vladimir Roznyatovskiy; G Dan Pantos; Natalya E Borisova; Marina D Reshetova; Vincent M Lynch; Victor N Khrustalev; Yuri A Ustynyuk
Journal:  Org Lett       Date:  2005-11-10       Impact factor: 6.005

5.  Poly(methyl methacrylate)s with pendant calixpyrroles and crown ethers: polymeric extractants for potassium halides.

Authors:  Abdullah Aydogan; Daniel J Coady; Sung Kuk Kim; Ahmet Akar; Christopher W Bielawski; Manuel Marquez; Jonathan L Sessler
Journal:  Angew Chem Int Ed Engl       Date:  2008       Impact factor: 15.336

  5 in total
  1 in total

1.  N,N'-Bis(2-amino-phen-yl)-3,4-diphenyl-thio-phene-2,5-dicarboxamide acetonitrile solvate.

Authors:  Rizvan K Askerov; Vladimir V Roznyatovsky; Evgeny A Katayev; Abel M Maharramov; Victor N Khrustalev
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-03-13
  1 in total

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