rac-1-[6-Hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-5-yl]ethanone
The title compound, C18H22N2O3, represents a (4S,5R,6S)-stereoisomer, crystallizing as a racemate in a centrosymmetric space group. The six-membered aliphatic ring adopts a half-chair conformation, with the hydroxy- and acetyl-substituted C atoms deviating by 0.458 (2) and −0.366...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2013-02-01
|
| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536813000937 |
| _version_ | 1818870294939435008 |
|---|---|
| author | Konstantin A. Potekhin Rizvan K. Askerov Kushvar E. Hajiyeva Narmina A. Gadirova Shahkaram I. Nazarov |
| author_facet | Konstantin A. Potekhin Rizvan K. Askerov Kushvar E. Hajiyeva Narmina A. Gadirova Shahkaram I. Nazarov |
| author_sort | Konstantin A. Potekhin |
| collection | DOAJ |
| description | The title compound, C18H22N2O3, represents a (4S,5R,6S)-stereoisomer, crystallizing as a racemate in a centrosymmetric space group. The six-membered aliphatic ring adopts a half-chair conformation, with the hydroxy- and acetyl-substituted C atoms deviating by 0.458 (2) and −0.366 (2) Å, respectively, from the plane defined by other four ring atoms. The pyrazole ring is essentially planar [r.m.s deviation = 0.004 (2) Å]. In the crystal, the molecules are linked into chains along the b axis by N—H...N hydrogen bonds. The chains are linked by O—H...N hydrogen bonds into layers parallel to the bc plane. |
| first_indexed | 2024-12-19T12:04:45Z |
| format | Article |
| id | doaj.art-01ba0ebae5a8480280fa15be489484d2 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-19T12:04:45Z |
| publishDate | 2013-02-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-01ba0ebae5a8480280fa15be489484d22022-12-21T20:22:23ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-02-01692o243o24310.1107/S1600536813000937rac-1-[6-Hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-5-yl]ethanoneKonstantin A. PotekhinRizvan K. AskerovKushvar E. HajiyevaNarmina A. GadirovaShahkaram I. NazarovThe title compound, C18H22N2O3, represents a (4S,5R,6S)-stereoisomer, crystallizing as a racemate in a centrosymmetric space group. The six-membered aliphatic ring adopts a half-chair conformation, with the hydroxy- and acetyl-substituted C atoms deviating by 0.458 (2) and −0.366 (2) Å, respectively, from the plane defined by other four ring atoms. The pyrazole ring is essentially planar [r.m.s deviation = 0.004 (2) Å]. In the crystal, the molecules are linked into chains along the b axis by N—H...N hydrogen bonds. The chains are linked by O—H...N hydrogen bonds into layers parallel to the bc plane.http://scripts.iucr.org/cgi-bin/paper?S1600536813000937 |
| spellingShingle | Konstantin A. Potekhin Rizvan K. Askerov Kushvar E. Hajiyeva Narmina A. Gadirova Shahkaram I. Nazarov rac-1-[6-Hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-5-yl]ethanone Acta Crystallographica Section E |
| title | rac-1-[6-Hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-5-yl]ethanone |
| title_full | rac-1-[6-Hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-5-yl]ethanone |
| title_fullStr | rac-1-[6-Hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-5-yl]ethanone |
| title_full_unstemmed | rac-1-[6-Hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-5-yl]ethanone |
| title_short | rac-1-[6-Hydroxy-4-(4-methoxyphenyl)-3,6-dimethyl-4,5,6,7-tetrahydro-2H-indazol-5-yl]ethanone |
| title_sort | rac 1 6 hydroxy 4 4 methoxyphenyl 3 6 dimethyl 4 5 6 7 tetrahydro 2h indazol 5 yl ethanone |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536813000937 |
| work_keys_str_mv | AT konstantinapotekhin rac16hydroxy44methoxyphenyl36dimethyl4567tetrahydro2hindazol5ylethanone AT rizvankaskerov rac16hydroxy44methoxyphenyl36dimethyl4567tetrahydro2hindazol5ylethanone AT kushvarehajiyeva rac16hydroxy44methoxyphenyl36dimethyl4567tetrahydro2hindazol5ylethanone AT narminaagadirova rac16hydroxy44methoxyphenyl36dimethyl4567tetrahydro2hindazol5ylethanone AT shahkaraminazarov rac16hydroxy44methoxyphenyl36dimethyl4567tetrahydro2hindazol5ylethanone |