Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate

Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate

In the title compound, C16H23N3O3S, the dihedral angles between the thiophene ring and the almost planar dimethylamino-methyleneamino (r.m.s. deviation = 0.005 Å) and dimethylamino-acryloyl (r.m.s. deviation = 0.033 Å) substituents are 6.99 (8) and 6.69 (7)°, respectively. The ester CO2 group subten...

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Main Authors: M. S. Krishnamurthy, N. L. Prasad, H. Nagarajaiah, Noor Shahina Begum
Format: Article
Language:English
Published: International Union of Crystallography 2015-12-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
thiophene derivative
hydrogen bonding
C—H...π interaction
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989015018885
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spelling doaj-36fca85928674777b65445260ab375532020-11-24T23:37:33ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-12-017112o908o90910.1107/S2056989015018885hb7489Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylateM. S. Krishnamurthy0N. L. Prasad1H. Nagarajaiah2Noor Shahina Begum3Department of Studies in Chemistry, Central College Campus, Bangalore University, Bangalore 560 001, Karnataka, IndiaDepartment of Studies in Chemistry, Central College Campus, Bangalore University, Bangalore 560 001, Karnataka, IndiaDepartment of Studies in Chemistry, Central College Campus, Bangalore University, Bangalore 560 001, Karnataka, IndiaDepartment of Studies in Chemistry, Central College Campus, Bangalore University, Bangalore 560 001, Karnataka, IndiaIn the title compound, C16H23N3O3S, the dihedral angles between the thiophene ring and the almost planar dimethylamino-methyleneamino (r.m.s. deviation = 0.005 Å) and dimethylamino-acryloyl (r.m.s. deviation = 0.033 Å) substituents are 6.99 (8) and 6.69 (7)°, respectively. The ester CO2 group subtends a dihedral angle of 44.92 (18)° with the thiophene ring. An intramolecular C—H...O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C—H...O hydrogen bonds generate R22(14) loops. In addition, a weak C—H...π interaction is observed.http://scripts.iucr.org/cgi-bin/paper?S2056989015018885crystal structurethiophene derivativehydrogen bondingC—H...π interaction
collection DOAJ
language English
format Article
sources DOAJ
author M. S. Krishnamurthy
N. L. Prasad
H. Nagarajaiah
Noor Shahina Begum
spellingShingle M. S. Krishnamurthy
N. L. Prasad
H. Nagarajaiah
Noor Shahina Begum
Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate
Acta Crystallographica Section E: Crystallographic Communications
crystal structure
thiophene derivative
hydrogen bonding
C—H...π interaction
author_facet M. S. Krishnamurthy
N. L. Prasad
H. Nagarajaiah
Noor Shahina Begum
author_sort M. S. Krishnamurthy
title Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate
title_short Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate
title_full Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate
title_fullStr Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate
title_full_unstemmed Crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate
title_sort crystal structure of ethyl 5-[3-(dimethylamino)acryloyl]-2-{[(dimethylamino)methylidene]amino}-4-methylthiophene-3-carboxylate
publisher International Union of Crystallography
series Acta Crystallographica Section E: Crystallographic Communications
issn 2056-9890
publishDate 2015-12-01
description In the title compound, C16H23N3O3S, the dihedral angles between the thiophene ring and the almost planar dimethylamino-methyleneamino (r.m.s. deviation = 0.005 Å) and dimethylamino-acryloyl (r.m.s. deviation = 0.033 Å) substituents are 6.99 (8) and 6.69 (7)°, respectively. The ester CO2 group subtends a dihedral angle of 44.92 (18)° with the thiophene ring. An intramolecular C—H...O hydrogen bond generates an S(6) ring. In the crystal, inversion dimers linked by pairs of C—H...O hydrogen bonds generate R22(14) loops. In addition, a weak C—H...π interaction is observed.
topic crystal structure
thiophene derivative
hydrogen bonding
C—H...π interaction
url http://scripts.iucr.org/cgi-bin/paper?S2056989015018885
work_keys_str_mv AT mskrishnamurthy crystalstructureofethyl53dimethylaminoacryloyl2dimethylaminomethylideneamino4methylthiophene3carboxylate
AT nlprasad crystalstructureofethyl53dimethylaminoacryloyl2dimethylaminomethylideneamino4methylthiophene3carboxylate
AT hnagarajaiah crystalstructureofethyl53dimethylaminoacryloyl2dimethylaminomethylideneamino4methylthiophene3carboxylate
AT noorshahinabegum crystalstructureofethyl53dimethylaminoacryloyl2dimethylaminomethylideneamino4methylthiophene3carboxylate
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