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2,25-Dioxo-27,28-diphenyl-30-oxa-29-thia-3,10,17,24-tetra­aza­penta­cyclo­[24.2.1.1(12,15).0(4,9).0(18,23)]triaconta-5,7,9(4),10,12,14,16,18,20,22,26,28-dodeca­ene chloro­form disolvate

The macrocycle of the title compound, C(36)H(24)N(4)O(3)S·2CHCl(3), contains a rigid framework with the nitro­gen 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 thio­phene ring. The dih...

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Autores principales: Askerov, Rizvan K., Roznyatovsky, Vladimir V., Katayev, Evgeny A., Maharramov, Abel M., Khrustalev, Victor N.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983673/
https://www.ncbi.nlm.nih.gov/pubmed/21580409
http://dx.doi.org/10.1107/S1600536810006173
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author Askerov, Rizvan K.
Roznyatovsky, Vladimir V.
Katayev, Evgeny A.
Maharramov, Abel M.
Khrustalev, Victor N.
author_facet Askerov, Rizvan K.
Roznyatovsky, Vladimir V.
Katayev, Evgeny A.
Maharramov, Abel M.
Khrustalev, Victor N.
author_sort Askerov, Rizvan K.
collection PubMed
description The macrocycle of the title compound, C(36)H(24)N(4)O(3)S·2CHCl(3), contains a rigid framework with the nitro­gen 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 thio­phene ring. The dihedral angle between the thio­phene ring plane and the mean plane of the central macrocyclic core including all atoms except sulfur is 21.6 (1)°. Four intra­molecular hydrogen bonds occur: two are between the amide hydrogen atoms and the Schiff base nitro­gen atoms, while the others are between the amide hydrogen atoms and the sulfur atom of the thio­phene. The two solvate chloro­form mol­ecules are bound to the carbonyl oxygen atoms of the ligand by weak C—H⋯O hydrogen bonding. In addition, the structure reveals inter­molecular Cl⋯Cl close contacts [3.308 (2), 3.404 (2) and 3.280 (2) Å] between the chloro­form solvate mol­ecules. In the crystal, the macrocycles form layers parallel to (101), with an inter­layer distance of 3.362 (3) Å. This short distance is determined by the stacking inter­actions between the amide carbonyl and imine fragments of neighboring ligands.
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spelling pubmed-29836732010-12-30 2,25-Dioxo-27,28-diphenyl-30-oxa-29-thia-3,10,17,24-tetra­aza­penta­cyclo­[24.2.1.1(12,15).0(4,9).0(18,23)]triaconta-5,7,9(4),10,12,14,16,18,20,22,26,28-dodeca­ene chloro­form disolvate Askerov, Rizvan K. Roznyatovsky, Vladimir V. Katayev, Evgeny A. Maharramov, Abel M. Khrustalev, Victor N. Acta Crystallogr Sect E Struct Rep Online Organic Papers The macrocycle of the title compound, C(36)H(24)N(4)O(3)S·2CHCl(3), contains a rigid framework with the nitro­gen 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 thio­phene ring. The dihedral angle between the thio­phene ring plane and the mean plane of the central macrocyclic core including all atoms except sulfur is 21.6 (1)°. Four intra­molecular hydrogen bonds occur: two are between the amide hydrogen atoms and the Schiff base nitro­gen atoms, while the others are between the amide hydrogen atoms and the sulfur atom of the thio­phene. The two solvate chloro­form mol­ecules are bound to the carbonyl oxygen atoms of the ligand by weak C—H⋯O hydrogen bonding. In addition, the structure reveals inter­molecular Cl⋯Cl close contacts [3.308 (2), 3.404 (2) and 3.280 (2) Å] between the chloro­form solvate mol­ecules. In the crystal, the macrocycles form layers parallel to (101), with an inter­layer distance of 3.362 (3) Å. This short distance is determined by the stacking inter­actions between the amide carbonyl and imine fragments of neighboring ligands. International Union of Crystallography 2010-02-20 /pmc/articles/PMC2983673/ /pubmed/21580409 http://dx.doi.org/10.1107/S1600536810006173 Text en © Askerov et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Askerov, Rizvan K.
Roznyatovsky, Vladimir V.
Katayev, Evgeny A.
Maharramov, Abel M.
Khrustalev, Victor N.
2,25-Dioxo-27,28-diphenyl-30-oxa-29-thia-3,10,17,24-tetra­aza­penta­cyclo­[24.2.1.1(12,15).0(4,9).0(18,23)]triaconta-5,7,9(4),10,12,14,16,18,20,22,26,28-dodeca­ene chloro­form disolvate
title 2,25-Dioxo-27,28-diphenyl-30-oxa-29-thia-3,10,17,24-tetra­aza­penta­cyclo­[24.2.1.1(12,15).0(4,9).0(18,23)]triaconta-5,7,9(4),10,12,14,16,18,20,22,26,28-dodeca­ene chloro­form disolvate
title_full 2,25-Dioxo-27,28-diphenyl-30-oxa-29-thia-3,10,17,24-tetra­aza­penta­cyclo­[24.2.1.1(12,15).0(4,9).0(18,23)]triaconta-5,7,9(4),10,12,14,16,18,20,22,26,28-dodeca­ene chloro­form disolvate
title_fullStr 2,25-Dioxo-27,28-diphenyl-30-oxa-29-thia-3,10,17,24-tetra­aza­penta­cyclo­[24.2.1.1(12,15).0(4,9).0(18,23)]triaconta-5,7,9(4),10,12,14,16,18,20,22,26,28-dodeca­ene chloro­form disolvate
title_full_unstemmed 2,25-Dioxo-27,28-diphenyl-30-oxa-29-thia-3,10,17,24-tetra­aza­penta­cyclo­[24.2.1.1(12,15).0(4,9).0(18,23)]triaconta-5,7,9(4),10,12,14,16,18,20,22,26,28-dodeca­ene chloro­form disolvate
title_short 2,25-Dioxo-27,28-diphenyl-30-oxa-29-thia-3,10,17,24-tetra­aza­penta­cyclo­[24.2.1.1(12,15).0(4,9).0(18,23)]triaconta-5,7,9(4),10,12,14,16,18,20,22,26,28-dodeca­ene chloro­form disolvate
title_sort 2,25-dioxo-27,28-diphenyl-30-oxa-29-thia-3,10,17,24-tetra­aza­penta­cyclo­[24.2.1.1(12,15).0(4,9).0(18,23)]triaconta-5,7,9(4),10,12,14,16,18,20,22,26,28-dodeca­ene chloro­form disolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983673/
https://www.ncbi.nlm.nih.gov/pubmed/21580409
http://dx.doi.org/10.1107/S1600536810006173
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AT roznyatovskyvladimirv 225dioxo2728diphenyl30oxa29thia3101724tetraazapentacyclo24211121504901823triaconta5794101214161820222628dodecaenechloroformdisolvate
AT katayevevgenya 225dioxo2728diphenyl30oxa29thia3101724tetraazapentacyclo24211121504901823triaconta5794101214161820222628dodecaenechloroformdisolvate
AT maharramovabelm 225dioxo2728diphenyl30oxa29thia3101724tetraazapentacyclo24211121504901823triaconta5794101214161820222628dodecaenechloroformdisolvate
AT khrustalevvictorn 225dioxo2728diphenyl30oxa29thia3101724tetraazapentacyclo24211121504901823triaconta5794101214161820222628dodecaenechloroformdisolvate