Allyl 4-hydroxyphenyl carbonate
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
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Texto
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Resumen
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.
Tipo de elemento: | Article | ||||||||||||
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Palabras claves no controlados: | Single-crystal X-ray study, T = 298 K, Mean (C–C) = 0.003 A˚, Disorder in main residue, R factor = 0.037, wR factor = 0.109, Data-to-parameter ratio = 9.0. | ||||||||||||
Materias: | Q Ciencia > QD Química | ||||||||||||
Divisiones: | Ciencias Químicas | ||||||||||||
Usuario depositante: | Editor Repositorio | ||||||||||||
Creadores: |
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Fecha del depósito: | 20 Jun 2025 20:32 | ||||||||||||
Última modificación: | 20 Jun 2025 20:32 | ||||||||||||
URI: | http://eprints.uanl.mx/id/eprint/30113 |
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