Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}amino)acetate
The title compound, C14H15N3O4, is nearly planar, the dihedral angle between the planes of the phenyl and pyrazolidine rings being 1.13 (7) Å, and that between the plane of the pyrazolidine ring and the mean plane of the side chain [C—N—C–C(=O)—O; r.m.s. deviation = 0.024 Å] being 2.52 (7)°. This is...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2014-09-01
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| Series: | Acta Crystallographica Section E |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536814016766 |
| _version_ | 1819001883338997760 |
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| author | Shaaban K. Mohamed Mehmet Akkurt Joel T. Mague Eman A. Ahmed Mustafa R. Albayati |
| author_facet | Shaaban K. Mohamed Mehmet Akkurt Joel T. Mague Eman A. Ahmed Mustafa R. Albayati |
| author_sort | Shaaban K. Mohamed |
| collection | DOAJ |
| description | The title compound, C14H15N3O4, is nearly planar, the dihedral angle between the planes of the phenyl and pyrazolidine rings being 1.13 (7) Å, and that between the plane of the pyrazolidine ring and the mean plane of the side chain [C—N—C–C(=O)—O; r.m.s. deviation = 0.024 Å] being 2.52 (7)°. This is due in large part to the presence of the intramolecular N—H...O and C—H...O hydrogen bonds. In the crystal, pairwise N—H...O hydrogen bonds form inversion dimers, which are further associated into layers, lying very close to plane (-120), via pairwise C—H...O hydrogen bonds. The layers are then weakly connected through C—H...O hydrogen bonds, forming a three-dimensional structure. |
| first_indexed | 2024-12-20T22:56:17Z |
| format | Article |
| id | doaj.art-15367d7f60654eb8861310b0190334b7 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T22:56:17Z |
| publishDate | 2014-09-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-15367d7f60654eb8861310b0190334b72022-12-21T19:24:06ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-09-01709o938o93910.1107/S1600536814016766su2759Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}amino)acetateShaaban K. Mohamed0Mehmet Akkurt1Joel T. Mague2Eman A. Ahmed3Mustafa R. Albayati4Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, EnglandDepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, TurkeyDepartment of Chemistry, Tulane University, New Orleans, LA 70118, USAChemistry Department, Faculty of Science, Sohag University, 82524 Sohag, EgyptKirkuk University, College of Science, Department of Chemistry, Kirkuk, IraqThe title compound, C14H15N3O4, is nearly planar, the dihedral angle between the planes of the phenyl and pyrazolidine rings being 1.13 (7) Å, and that between the plane of the pyrazolidine ring and the mean plane of the side chain [C—N—C–C(=O)—O; r.m.s. deviation = 0.024 Å] being 2.52 (7)°. This is due in large part to the presence of the intramolecular N—H...O and C—H...O hydrogen bonds. In the crystal, pairwise N—H...O hydrogen bonds form inversion dimers, which are further associated into layers, lying very close to plane (-120), via pairwise C—H...O hydrogen bonds. The layers are then weakly connected through C—H...O hydrogen bonds, forming a three-dimensional structure.http://scripts.iucr.org/cgi-bin/paper?S1600536814016766crystal structurehydrogen bondinghydrogen-bonded dimerspyrazolidine-3,5-dioneaminoacetic acid ester |
| spellingShingle | Shaaban K. Mohamed Mehmet Akkurt Joel T. Mague Eman A. Ahmed Mustafa R. Albayati Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}amino)acetate Acta Crystallographica Section E crystal structure hydrogen bonding hydrogen-bonded dimers pyrazolidine-3,5-dione aminoacetic acid ester |
| title | Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}amino)acetate |
| title_full | Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}amino)acetate |
| title_fullStr | Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}amino)acetate |
| title_full_unstemmed | Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}amino)acetate |
| title_short | Crystal structure of ethyl 2-({[(4Z)-3,5-dioxo-1-phenylpyrazolidin-4-ylidene]methyl}amino)acetate |
| title_sort | crystal structure of ethyl 2 4z 3 5 dioxo 1 phenylpyrazolidin 4 ylidene methyl amino acetate |
| topic | crystal structure hydrogen bonding hydrogen-bonded dimers pyrazolidine-3,5-dione aminoacetic acid ester |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536814016766 |
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