1-(4-Methoxyphenyl)-3-phenyl-1H-pyrazol-5-amine
The synthesis of the title compound, C16H15N3O, is regiospecific and single-crystal X-ray diffraction provides the only means of unambiguous structural analysis, with the benzene ring bonded to the imine C atom. The phenyl ring and the essentially planar (r.m.s. deviation 0.0354 &a...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2009-05-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536809015463 |
| _version_ | 1818791593822388224 |
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| author | Gary S. Nichol Victor J. Hruby Isuru R. Kumarasinghe |
| author_facet | Gary S. Nichol Victor J. Hruby Isuru R. Kumarasinghe |
| author_sort | Gary S. Nichol |
| collection | DOAJ |
| description | The synthesis of the title compound, C16H15N3O, is regiospecific and single-crystal X-ray diffraction provides the only means of unambiguous structural analysis, with the benzene ring bonded to the imine C atom. The phenyl ring and the essentially planar (r.m.s. deviation 0.0354 Å) methoxybenzene group are rotated by 29.41 (5) and 37.01 (5)°, respectively, from the central pyrazole ring. An intermolecular N—H...N hydrogen bond links symmetry-related molecules into a C(5) chain, which runs parallel to the b axis. |
| first_indexed | 2024-12-18T15:13:49Z |
| format | Article |
| id | doaj.art-2376d37f38f040c2b11302eebff10e1a |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-18T15:13:49Z |
| publishDate | 2009-05-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-2376d37f38f040c2b11302eebff10e1a2022-12-21T21:03:34ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-05-01655o1170o117010.1107/S16005368090154631-(4-Methoxyphenyl)-3-phenyl-1H-pyrazol-5-amineGary S. NicholVictor J. HrubyIsuru R. KumarasingheThe synthesis of the title compound, C16H15N3O, is regiospecific and single-crystal X-ray diffraction provides the only means of unambiguous structural analysis, with the benzene ring bonded to the imine C atom. The phenyl ring and the essentially planar (r.m.s. deviation 0.0354 Å) methoxybenzene group are rotated by 29.41 (5) and 37.01 (5)°, respectively, from the central pyrazole ring. An intermolecular N—H...N hydrogen bond links symmetry-related molecules into a C(5) chain, which runs parallel to the b axis.http://scripts.iucr.org/cgi-bin/paper?S1600536809015463 |
| spellingShingle | Gary S. Nichol Victor J. Hruby Isuru R. Kumarasinghe 1-(4-Methoxyphenyl)-3-phenyl-1H-pyrazol-5-amine Acta Crystallographica Section E |
| title | 1-(4-Methoxyphenyl)-3-phenyl-1H-pyrazol-5-amine |
| title_full | 1-(4-Methoxyphenyl)-3-phenyl-1H-pyrazol-5-amine |
| title_fullStr | 1-(4-Methoxyphenyl)-3-phenyl-1H-pyrazol-5-amine |
| title_full_unstemmed | 1-(4-Methoxyphenyl)-3-phenyl-1H-pyrazol-5-amine |
| title_short | 1-(4-Methoxyphenyl)-3-phenyl-1H-pyrazol-5-amine |
| title_sort | 1 4 methoxyphenyl 3 phenyl 1h pyrazol 5 amine |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536809015463 |
| work_keys_str_mv | AT garysnichol 14methoxyphenyl3phenyl1hpyrazol5amine AT victorjhruby 14methoxyphenyl3phenyl1hpyrazol5amine AT isururkumarasinghe 14methoxyphenyl3phenyl1hpyrazol5amine |