(S)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid
The title compound, C16H14FNO3, was synthesized via solid phase methods; it exhibits monoclinic (P21) symmetry at room temperature. The two independent molecules that comprise the asymmetric unit display distinct torsion angles of 173.2 (2) and 72.6 (2)° along the central sp3 C—N bond. In the crysta...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2020-07-01
|
| Series: | IUCrData |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314620008974 |
| _version_ | 1819154715532853248 |
|---|---|
| author | Kathleen S. Lee Luke Turner Cynthia B. Powell Eric W. Reinheimer |
| author_facet | Kathleen S. Lee Luke Turner Cynthia B. Powell Eric W. Reinheimer |
| author_sort | Kathleen S. Lee |
| collection | DOAJ |
| description | The title compound, C16H14FNO3, was synthesized via solid phase methods; it exhibits monoclinic (P21) symmetry at room temperature. The two independent molecules that comprise the asymmetric unit display distinct torsion angles of 173.2 (2) and 72.6 (2)° along the central sp3 C—N bond. In the crystal, hydrogen bonding through N—H...O contacts couples the asymmetric unit molecules into pairs that align in layers extending parallel to (100) via additional O—H...O interactions. The phenyl ring of one independent molecule was found to be disordered over two sets of sites in a 0.55 (3):0.45 (3) ratio. |
| first_indexed | 2024-12-22T15:25:29Z |
| format | Article |
| id | doaj.art-6409c9845920483e8c2ca120c73dfbff |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-22T15:25:29Z |
| publishDate | 2020-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-6409c9845920483e8c2ca120c73dfbff2022-12-21T18:21:29ZengInternational Union of CrystallographyIUCrData2414-31462020-07-0157x20089710.1107/S2414314620008974wm4133(S)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acidKathleen S. Lee0Luke Turner1Cynthia B. Powell2Eric W. Reinheimer3Department of Chemistry and Biochemistry, Abilene Christian University, ACU 28132, Abilene, Texas 79699, USADepartment of Chemistry and Biochemistry, Abilene Christian University, ACU 28132, Abilene, Texas 79699, USADepartment of Chemistry and Biochemistry, Abilene Christian University, ACU 28132, Abilene, Texas 79699, USARigaku Americas Corporation, 9009 New Trails Drive, The Woodlands, Texas, 77381, USAThe title compound, C16H14FNO3, was synthesized via solid phase methods; it exhibits monoclinic (P21) symmetry at room temperature. The two independent molecules that comprise the asymmetric unit display distinct torsion angles of 173.2 (2) and 72.6 (2)° along the central sp3 C—N bond. In the crystal, hydrogen bonding through N—H...O contacts couples the asymmetric unit molecules into pairs that align in layers extending parallel to (100) via additional O—H...O interactions. The phenyl ring of one independent molecule was found to be disordered over two sets of sites in a 0.55 (3):0.45 (3) ratio.http://scripts.iucr.org/cgi-bin/paper?S2414314620008974crystal structureamino acid derivativesolid phase synthesishydrogen bonding |
| spellingShingle | Kathleen S. Lee Luke Turner Cynthia B. Powell Eric W. Reinheimer (S)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid IUCrData crystal structure amino acid derivative solid phase synthesis hydrogen bonding |
| title | (S)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid |
| title_full | (S)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid |
| title_fullStr | (S)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid |
| title_full_unstemmed | (S)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid |
| title_short | (S)-2-[(4-Fluorophenyl)formamido]-3-phenylpropanoic acid |
| title_sort | s 2 4 fluorophenyl formamido 3 phenylpropanoic acid |
| topic | crystal structure amino acid derivative solid phase synthesis hydrogen bonding |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314620008974 |
| work_keys_str_mv | AT kathleenslee s24fluorophenylformamido3phenylpropanoicacid AT luketurner s24fluorophenylformamido3phenylpropanoicacid AT cynthiabpowell s24fluorophenylformamido3phenylpropanoicacid AT ericwreinheimer s24fluorophenylformamido3phenylpropanoicacid |