Allyl 4-hydroxyphenyl carbonate
The title molecule, C10H10O4, is a functionalized carbonate used in the synthetic route to organic glasses. The central CH fragment of the allyl group is disordered over two positions, with occupancies in a 0.758 (10):0.242 (10)ratio. This disorder reflects the torsional flexibility of the oxygen–al...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2009
|
| Subjects: | |
| Online Access: | http://eprints.uanl.mx/30113/7/30113.pdf |
| _version_ | 1836397367571513344 |
|---|---|
| author | Flores Ahuactzin, Víctor Hugo López, Delia Bernès, Sylvain |
| author_facet | Flores Ahuactzin, Víctor Hugo López, Delia Bernès, Sylvain |
| author_sort | Flores Ahuactzin, Víctor Hugo |
| collection | Repositorio Institucional |
| description | The title molecule, C10H10O4, is a functionalized carbonate used in the synthetic route to organic glasses. The central CH fragment of the allyl group is disordered over two positions, with occupancies in a 0.758 (10):0.242 (10)ratio. This disorder reflects the torsional flexibility of the oxygen–allyl group, although both disordered parts present the expected anticlinal conformation, with O—CH2—CH CH2 torsion angles of 111 (2) and 119.1 (4). The crystal structure is based on chains parallel to [010], formed by O...H—O hydrogen bonds involving hydroxyl and carbonyl groups as donors and acceptors, respectively. The molecular packing is further stabilized by two weak C—H... contacts from the benzene ring of the asymmetric unit with two benzene rings of neighboring molecules. |
| format | Article |
| id | eprints-30113 |
| institution | UANL |
| language | English |
| publishDate | 2009 |
| publisher | International Union of Crystallography |
| record_format | eprints |
| spelling | eprints-301132025-06-20T20:32:58Z http://eprints.uanl.mx/30113/ Allyl 4-hydroxyphenyl carbonate Flores Ahuactzin, Víctor Hugo López, Delia Bernès, Sylvain QD Química The title molecule, C10H10O4, is a functionalized carbonate used in the synthetic route to organic glasses. The central CH fragment of the allyl group is disordered over two positions, with occupancies in a 0.758 (10):0.242 (10)ratio. This disorder reflects the torsional flexibility of the oxygen–allyl group, although both disordered parts present the expected anticlinal conformation, with O—CH2—CH CH2 torsion angles of 111 (2) and 119.1 (4). The crystal structure is based on chains parallel to [010], formed by O...H—O hydrogen bonds involving hydroxyl and carbonyl groups as donors and acceptors, respectively. The molecular packing is further stabilized by two weak C—H... contacts from the benzene ring of the asymmetric unit with two benzene rings of neighboring molecules. International Union of Crystallography 2009-06 Article PeerReviewed text en cc_by_nc_nd http://eprints.uanl.mx/30113/7/30113.pdf http://eprints.uanl.mx/30113/7.haspreviewThumbnailVersion/30113.pdf Flores Ahuactzin, Víctor Hugo y López, Delia y Bernès, Sylvain (2009) Allyl 4-hydroxyphenyl carbonate. Acta Crystallographica Section E Structure Reports Online, 65 (7). o1603-o1603. ISSN 1600-5368 http://doi.org/10.1107/S1600536809022387 doi:10.1107/S1600536809022387 |
| spellingShingle | QD Química Flores Ahuactzin, Víctor Hugo López, Delia Bernès, Sylvain Allyl 4-hydroxyphenyl carbonate |
| thumbnail | https://rediab.uanl.mx/themes/sandal5/images/online.png |
| title | Allyl 4-hydroxyphenyl carbonate |
| title_full | Allyl 4-hydroxyphenyl carbonate |
| title_fullStr | Allyl 4-hydroxyphenyl carbonate |
| title_full_unstemmed | Allyl 4-hydroxyphenyl carbonate |
| title_short | Allyl 4-hydroxyphenyl carbonate |
| title_sort | allyl 4 hydroxyphenyl carbonate |
| topic | QD Química |
| url | http://eprints.uanl.mx/30113/7/30113.pdf |
| work_keys_str_mv | AT floresahuactzinvictorhugo allyl4hydroxyphenylcarbonate AT lopezdelia allyl4hydroxyphenylcarbonate AT bernessylvain allyl4hydroxyphenylcarbonate |