N,N,N-Trimethyl-N-(methyl 5-deoxy-2,3-O-isopropylidene-β-d-ribofuranosid-5-yl)ammonium 4-methylbenzenesulfonate sesquihydrate
The structure of the title compound, [C12H24NO4][C7H7O3S]·1.5H2O, contains alternating layers parallel to (001) of hydrophobic and polar character, stabilized by C—H...O hydrogen bonding. The furan ring adopts an envelope conformation with the C(OMe) atom as the flap, and the diox...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2013-07-01
|
| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536813014797 |
| _version_ | 1819289044339654656 |
|---|---|
| author | Barbara Dmochowska Karol Sikora Jaroslaw Chojnacki Wieslaw Wojnowski Andrzej Wiśniewski |
| author_facet | Barbara Dmochowska Karol Sikora Jaroslaw Chojnacki Wieslaw Wojnowski Andrzej Wiśniewski |
| author_sort | Barbara Dmochowska |
| collection | DOAJ |
| description | The structure of the title compound, [C12H24NO4][C7H7O3S]·1.5H2O, contains alternating layers parallel to (001) of hydrophobic and polar character, stabilized by C—H...O hydrogen bonding. The furan ring adopts an envelope conformation with the C(OMe) atom as the flap, and the dioxolane ring is twisted about one of the O—C(methine) bonds. A comparison to related compounds is presented. The tosylate-O atoms were disordered over two positions with the major component having a site occupancy factor = 0.566 (12). The structure was refined as a rotary twin with regard to rotation about the c axis with the contribution of the second component being 0.0048 (6). Solvate water molecules are highly disordered and were removed using the SQUEEZE procedure; the unit cell characteristics take into account the presence of the disordered solvent. High-resolution 1H and 13C NMR spectroscopic data are also presented. |
| first_indexed | 2024-12-24T03:00:35Z |
| format | Article |
| id | doaj.art-242fe59c59fb47a09eb56105e6cba389 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T03:00:35Z |
| publishDate | 2013-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-242fe59c59fb47a09eb56105e6cba3892022-12-21T17:18:13ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682013-07-01697o1019o102010.1107/S1600536813014797N,N,N-Trimethyl-N-(methyl 5-deoxy-2,3-O-isopropylidene-β-d-ribofuranosid-5-yl)ammonium 4-methylbenzenesulfonate sesquihydrateBarbara DmochowskaKarol SikoraJaroslaw ChojnackiWieslaw WojnowskiAndrzej WiśniewskiThe structure of the title compound, [C12H24NO4][C7H7O3S]·1.5H2O, contains alternating layers parallel to (001) of hydrophobic and polar character, stabilized by C—H...O hydrogen bonding. The furan ring adopts an envelope conformation with the C(OMe) atom as the flap, and the dioxolane ring is twisted about one of the O—C(methine) bonds. A comparison to related compounds is presented. The tosylate-O atoms were disordered over two positions with the major component having a site occupancy factor = 0.566 (12). The structure was refined as a rotary twin with regard to rotation about the c axis with the contribution of the second component being 0.0048 (6). Solvate water molecules are highly disordered and were removed using the SQUEEZE procedure; the unit cell characteristics take into account the presence of the disordered solvent. High-resolution 1H and 13C NMR spectroscopic data are also presented.http://scripts.iucr.org/cgi-bin/paper?S1600536813014797 |
| spellingShingle | Barbara Dmochowska Karol Sikora Jaroslaw Chojnacki Wieslaw Wojnowski Andrzej Wiśniewski N,N,N-Trimethyl-N-(methyl 5-deoxy-2,3-O-isopropylidene-β-d-ribofuranosid-5-yl)ammonium 4-methylbenzenesulfonate sesquihydrate Acta Crystallographica Section E |
| title | N,N,N-Trimethyl-N-(methyl 5-deoxy-2,3-O-isopropylidene-β-d-ribofuranosid-5-yl)ammonium 4-methylbenzenesulfonate sesquihydrate |
| title_full | N,N,N-Trimethyl-N-(methyl 5-deoxy-2,3-O-isopropylidene-β-d-ribofuranosid-5-yl)ammonium 4-methylbenzenesulfonate sesquihydrate |
| title_fullStr | N,N,N-Trimethyl-N-(methyl 5-deoxy-2,3-O-isopropylidene-β-d-ribofuranosid-5-yl)ammonium 4-methylbenzenesulfonate sesquihydrate |
| title_full_unstemmed | N,N,N-Trimethyl-N-(methyl 5-deoxy-2,3-O-isopropylidene-β-d-ribofuranosid-5-yl)ammonium 4-methylbenzenesulfonate sesquihydrate |
| title_short | N,N,N-Trimethyl-N-(methyl 5-deoxy-2,3-O-isopropylidene-β-d-ribofuranosid-5-yl)ammonium 4-methylbenzenesulfonate sesquihydrate |
| title_sort | n n n trimethyl n methyl 5 deoxy 2 3 o isopropylidene 946 d ribofuranosid 5 yl ammonium 4 methylbenzenesulfonate sesquihydrate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536813014797 |
| work_keys_str_mv | AT barbaradmochowska nnntrimethylnmethyl5deoxy23oisopropylidene946dribofuranosid5ylammonium4methylbenzenesulfonatesesquihydrate AT karolsikora nnntrimethylnmethyl5deoxy23oisopropylidene946dribofuranosid5ylammonium4methylbenzenesulfonatesesquihydrate AT jaroslawchojnacki nnntrimethylnmethyl5deoxy23oisopropylidene946dribofuranosid5ylammonium4methylbenzenesulfonatesesquihydrate AT wieslawwojnowski nnntrimethylnmethyl5deoxy23oisopropylidene946dribofuranosid5ylammonium4methylbenzenesulfonatesesquihydrate AT andrzejwi347niewski nnntrimethylnmethyl5deoxy23oisopropylidene946dribofuranosid5ylammonium4methylbenzenesulfonatesesquihydrate |