Crystal structure of diethyl 2-amino-6-[(thiophen-3-yl)ethynyl]azulene-1,3-dicarboxylate

Crystal structure of diethyl 2-amino-6-[(thiophen-3-yl)ethynyl]azulene-1,3-dicarboxylate

The title compound, C22H19NO4S, has an almost planar geometry supported by intramolecular N—H...O and C—H...O hydrogen bonds. The thiophene ring is inclined to the azulene ring by 4.85 (16)°, while the ethoxycarbonyl groups are inclined to the azulene ring by 7.0 (2) and 5.7 (2)°. In the crystal, mo...

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Bibliographic Details
Main Authors: Sebastian Förster, Wilhelm Seichter, Edwin Weber
Format: Article
Language:English
Published: International Union of Crystallography 2015-03-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
azulene
thiophene
3-thienylethynyl
hydrogen bonds
C—H...π interactions
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989015003898
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spelling doaj-034d0388285247b483a701806baa596b2020-11-24T23:47:37ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-03-01713o212o21310.1107/S2056989015003898su5088Crystal structure of diethyl 2-amino-6-[(thiophen-3-yl)ethynyl]azulene-1,3-dicarboxylateSebastian Förster0Wilhelm Seichter1Edwin Weber2Institut für Organische Chemie, TU Bergakademie Freiberg, Leipziger Strasse 29, D-09596 Freiberg/Sachsen, GermanyInstitut für Organische Chemie, TU Bergakademie Freiberg, Leipziger Strasse 29, D-09596 Freiberg/Sachsen, GermanyInstitut für Organische Chemie, TU Bergakademie Freiberg, Leipziger Strasse 29, D-09596 Freiberg/Sachsen, GermanyThe title compound, C22H19NO4S, has an almost planar geometry supported by intramolecular N—H...O and C—H...O hydrogen bonds. The thiophene ring is inclined to the azulene ring by 4.85 (16)°, while the ethoxycarbonyl groups are inclined to the azulene ring by 7.0 (2) and 5.7 (2)°. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with an R22(12) ring motif. The dimers are linked via C—H...π interactions, forming sheets parallel to (10-1).http://scripts.iucr.org/cgi-bin/paper?S2056989015003898crystal structureazulenethiophene3-thienylethynylhydrogen bondsC—H...π interactions
collection DOAJ
language English
format Article
sources DOAJ
author Sebastian Förster
Wilhelm Seichter
Edwin Weber
spellingShingle Sebastian Förster
Wilhelm Seichter
Edwin Weber
Crystal structure of diethyl 2-amino-6-[(thiophen-3-yl)ethynyl]azulene-1,3-dicarboxylate
Acta Crystallographica Section E: Crystallographic Communications
crystal structure
azulene
thiophene
3-thienylethynyl
hydrogen bonds
C—H...π interactions
author_facet Sebastian Förster
Wilhelm Seichter
Edwin Weber
author_sort Sebastian Förster
title Crystal structure of diethyl 2-amino-6-[(thiophen-3-yl)ethynyl]azulene-1,3-dicarboxylate
title_short Crystal structure of diethyl 2-amino-6-[(thiophen-3-yl)ethynyl]azulene-1,3-dicarboxylate
title_full Crystal structure of diethyl 2-amino-6-[(thiophen-3-yl)ethynyl]azulene-1,3-dicarboxylate
title_fullStr Crystal structure of diethyl 2-amino-6-[(thiophen-3-yl)ethynyl]azulene-1,3-dicarboxylate
title_full_unstemmed Crystal structure of diethyl 2-amino-6-[(thiophen-3-yl)ethynyl]azulene-1,3-dicarboxylate
title_sort crystal structure of diethyl 2-amino-6-[(thiophen-3-yl)ethynyl]azulene-1,3-dicarboxylate
publisher International Union of Crystallography
series Acta Crystallographica Section E: Crystallographic Communications
issn 2056-9890
publishDate 2015-03-01
description The title compound, C22H19NO4S, has an almost planar geometry supported by intramolecular N—H...O and C—H...O hydrogen bonds. The thiophene ring is inclined to the azulene ring by 4.85 (16)°, while the ethoxycarbonyl groups are inclined to the azulene ring by 7.0 (2) and 5.7 (2)°. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with an R22(12) ring motif. The dimers are linked via C—H...π interactions, forming sheets parallel to (10-1).
topic crystal structure
azulene
thiophene
3-thienylethynyl
hydrogen bonds
C—H...π interactions
url http://scripts.iucr.org/cgi-bin/paper?S2056989015003898
work_keys_str_mv AT sebastianforster crystalstructureofdiethyl2amino6thiophen3ylethynylazulene13dicarboxylate
AT wilhelmseichter crystalstructureofdiethyl2amino6thiophen3ylethynylazulene13dicarboxylate
AT edwinweber crystalstructureofdiethyl2amino6thiophen3ylethynylazulene13dicarboxylate
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