tert-Butyl 2-methyl-2-(4-nitrobenzoyl)propanoate
The title compound, C15H19NO5, is bent with a dihedral angle of 61.8 (2)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C—O—C). The dihedral angle of 0.8 (2)° between t...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2010-02-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810003119 |
| _version_ | 1818492461592346624 |
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| author | Chelsey M. Crosse Marshall W. Logue Rudy L. Luck Louis R. Pignotti Melissa F. Waineo |
| author_facet | Chelsey M. Crosse Marshall W. Logue Rudy L. Luck Louis R. Pignotti Melissa F. Waineo |
| author_sort | Chelsey M. Crosse |
| collection | DOAJ |
| description | The title compound, C15H19NO5, is bent with a dihedral angle of 61.8 (2)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C—O—C). The dihedral angle of 0.8 (2)° between the mean planes of the nitro group and the benzene ring indicates near coplanarity. In the crystal, each molecule is linked to four adjacent molecules by weak C—H...O hydrogen-bonding interactions. Both benzene H atoms ortho to the ketone O atom form C—H...O hydrogen bonds with the keto O atoms of two neighboring molecules (of the keto and ester groups, respectively), and the two other interactions involve the H atoms from a methyl group of the dimethyl residue, displaying C—H...O interactions with the O atoms of the nitro groups. These four interactions for each molecule lead to the formation of two-dimensional sheets with a hydrophilic interior, held together by weak hydrogen-bonded interactions, and a hydrophobic exterior composed of protruding methyl groups which interstack with the methyl groups in adjacent sheets. |
| first_indexed | 2024-12-10T17:43:46Z |
| format | Article |
| id | doaj.art-4bf94da32be647188113af04c17de683 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-10T17:43:46Z |
| publishDate | 2010-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-4bf94da32be647188113af04c17de6832022-12-22T01:39:19ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-02-01662o495o49610.1107/S1600536810003119tert-Butyl 2-methyl-2-(4-nitrobenzoyl)propanoateChelsey M. CrosseMarshall W. LogueRudy L. LuckLouis R. PignottiMelissa F. WaineoThe title compound, C15H19NO5, is bent with a dihedral angle of 61.8 (2)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C—O—C). The dihedral angle of 0.8 (2)° between the mean planes of the nitro group and the benzene ring indicates near coplanarity. In the crystal, each molecule is linked to four adjacent molecules by weak C—H...O hydrogen-bonding interactions. Both benzene H atoms ortho to the ketone O atom form C—H...O hydrogen bonds with the keto O atoms of two neighboring molecules (of the keto and ester groups, respectively), and the two other interactions involve the H atoms from a methyl group of the dimethyl residue, displaying C—H...O interactions with the O atoms of the nitro groups. These four interactions for each molecule lead to the formation of two-dimensional sheets with a hydrophilic interior, held together by weak hydrogen-bonded interactions, and a hydrophobic exterior composed of protruding methyl groups which interstack with the methyl groups in adjacent sheets.http://scripts.iucr.org/cgi-bin/paper?S1600536810003119 |
| spellingShingle | Chelsey M. Crosse Marshall W. Logue Rudy L. Luck Louis R. Pignotti Melissa F. Waineo tert-Butyl 2-methyl-2-(4-nitrobenzoyl)propanoate Acta Crystallographica Section E |
| title | tert-Butyl 2-methyl-2-(4-nitrobenzoyl)propanoate |
| title_full | tert-Butyl 2-methyl-2-(4-nitrobenzoyl)propanoate |
| title_fullStr | tert-Butyl 2-methyl-2-(4-nitrobenzoyl)propanoate |
| title_full_unstemmed | tert-Butyl 2-methyl-2-(4-nitrobenzoyl)propanoate |
| title_short | tert-Butyl 2-methyl-2-(4-nitrobenzoyl)propanoate |
| title_sort | tert butyl 2 methyl 2 4 nitrobenzoyl propanoate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810003119 |
| work_keys_str_mv | AT chelseymcrosse tertbutyl2methyl24nitrobenzoylpropanoate AT marshallwlogue tertbutyl2methyl24nitrobenzoylpropanoate AT rudylluck tertbutyl2methyl24nitrobenzoylpropanoate AT louisrpignotti tertbutyl2methyl24nitrobenzoylpropanoate AT melissafwaineo tertbutyl2methyl24nitrobenzoylpropanoate |