Ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate

Ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate

In the title compound, C12H12N4O4, the 1,2,3-triazole ring and the nitro group form dihedral angles of 37.93 (5) and 8.97 (12)°, respectively, with the phenyl ring. The molecular structure is stabilized by an intramolecular C—H...O hydrogen bond...

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Main Authors: Hoong-Kun Fun, Ching Kheng Quah, Nithinchandra, Balakrishna Kalluraya
Format: Article
Language:English
Published: International Union of Crystallography 2011-09-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536811033940
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spelling doaj-2e78fa6123714004b5e5c6cb704f9d672020-11-24T21:32:46ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-09-01679o2416o241610.1107/S1600536811033940Ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylateHoong-Kun FunChing Kheng QuahNithinchandraBalakrishna KallurayaIn the title compound, C12H12N4O4, the 1,2,3-triazole ring and the nitro group form dihedral angles of 37.93 (5) and 8.97 (12)°, respectively, with the phenyl ring. The molecular structure is stabilized by an intramolecular C—H...O hydrogen bond, which generates an S(6) ring motif. In the crystal, molecules are linked by C—H...N hydrogen bonds into layers lying parallel to (100). The crystal structure is further consolidated by π–π [centroid–centroid distance = 3.6059 (6) Å] interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536811033940
collection DOAJ
language English
format Article
sources DOAJ
author Hoong-Kun Fun
Ching Kheng Quah
Nithinchandra
Balakrishna Kalluraya
spellingShingle Hoong-Kun Fun
Ching Kheng Quah
Nithinchandra
Balakrishna Kalluraya
Ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
Acta Crystallographica Section E
author_facet Hoong-Kun Fun
Ching Kheng Quah
Nithinchandra
Balakrishna Kalluraya
author_sort Hoong-Kun Fun
title Ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
title_short Ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
title_full Ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
title_fullStr Ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
title_full_unstemmed Ethyl 5-methyl-1-(4-nitrophenyl)-1H-1,2,3-triazole-4-carboxylate
title_sort ethyl 5-methyl-1-(4-nitrophenyl)-1h-1,2,3-triazole-4-carboxylate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2011-09-01
description In the title compound, C12H12N4O4, the 1,2,3-triazole ring and the nitro group form dihedral angles of 37.93 (5) and 8.97 (12)°, respectively, with the phenyl ring. The molecular structure is stabilized by an intramolecular C—H...O hydrogen bond, which generates an S(6) ring motif. In the crystal, molecules are linked by C—H...N hydrogen bonds into layers lying parallel to (100). The crystal structure is further consolidated by π–π [centroid–centroid distance = 3.6059 (6) Å] interactions.
url http://scripts.iucr.org/cgi-bin/paper?S1600536811033940
work_keys_str_mv AT hoongkunfun ethyl5methyl14nitrophenyl1h123triazole4carboxylate
AT chingkhengquah ethyl5methyl14nitrophenyl1h123triazole4carboxylate
AT nithinchandra ethyl5methyl14nitrophenyl1h123triazole4carboxylate
AT balakrishnakalluraya ethyl5methyl14nitrophenyl1h123triazole4carboxylate
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