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Redetermination of 2,4,6-tricyclohexyl-1,3,5-trioxane

إعادة تحديد 2،4،6 - tricyclohexyl -1،3،5 - trioxane
Authors: Rodolfo Moreno‐Fuquen; Eunice Ríos; Rodrígo Paredes; Luz Jaramillo; J. Zukerman‐Schpector;

Redetermination of 2,4,6-tricyclohexyl-1,3,5-trioxane

Abstract

Le composé du titre, C(21)H(36)O(3), a été obtenu par traitement du cyclo-hexa-necarbaldéhyde avec de l'acide toluène-4-sulfonique monohydraté catalytique. Cette nouvelle détermination se traduit par une structure cristalline avec une précision significativement plus élevée que la détermination originale [Diana & Ganis (1963▶). Atti Accad. Naz. Lincei, 35, 80-88]. L'unité asymétrique contient un sixième de l'écule molaire, l'unité de formule étant générée par une symétrie cristallographique de 3 m. Dans la mol-écule, les anneaux trioxane et cyclo-hexane sont en conformation chaise. Dans la structure cristalline, les mol-écules sont liées par de faibles liaisons hydrogène C-H 0 le long de la direction [001].

El compuesto del título, C(21)H(36)O(3), se obtuvo mediante tratamiento de ciclohexa-necarbaldehído con ácido tolueno-4-sulfónico monohidrato catalítico. Esta redeterminación da como resultado una estructura cristalina con una precisión significativamente mayor que la determinación original [Diana & Ganis (1963▶). Atti Accad. Naz. Lincei, 35, 80-88]. La unidad asimétrica contiene una sexta parte del mol-ecule, la unidad de fórmula se genera por simetría cristalográfica de 3 m. En el mol-ecule, los anillos de trioxano y ciclohexano están en conformaciones de silla. En la estructura cristalina, los mol-éculas están unidos por enlaces de hidrógeno C-H O débiles a lo largo de la dirección [001].

The title compound, C(21)H(36)O(3), was obtained by treatment of cyclo-hexa-necarbaldehyde with catalytic toluene-4-sulfonic acid monohydrate. This redetermination results in a crystal structure with significantly higher precision than the original determination [Diana & Ganis (1963 ▶). Atti Accad. Naz. Lincei, 35, 80-88]. The asymmetric unit contains one sixth of the mol-ecule, the formula unit being generated by crystallographic 3m symmetry. In the mol-ecule, the trioxane and cyclo-hexane rings are in chair conformations. In the crystal structure, mol-ecules are linked by weak C-H⋯O hydrogen bonds along the [001] direction.

تم الحصول على مركب العنوان، C(21)H(36)O(3)، عن طريق معالجة سايكلو سداسي نيكاربالدهيد مع التولوين الحفاز - 4 - حمض السلفونيك أحادي الهيدرات. ينتج عن إعادة التحديد هذه بنية بلورية بدقة أعلى بكثير من التحديد الأصلي [Diana & Ganis (1963▶). أتي عقاد. ناز. لينسي، 35، 80-88]. تحتوي الوحدة غير المتماثلة على سدس جزيء المول، وهي وحدة الصيغة التي يتم إنشاؤها بواسطة التماثل البلوري بطول 3 أمتار. في إيكول المولي، تكون حلقات التريوكسان والهكسان الحلقي في شكل الكرسي. في البنية البلورية، ترتبط جزيئات المول بروابط هيدروجينية ضعيفة C- H - O على طول اتجاه [001].

Keywords

Organic chemistry, Crystal (programming language), Organic Papers, Inorganic Chemistry, FOS: Chemical sciences, Copolymer, Biochemistry, Genetics and Molecular Biology, FOS: Mathematics, Physical and Theoretical Chemistry, Polymer, Molecular Biology, Hydrogen bond, Noncovalent Interactions in Molecular Crystals and Supramolecular Chemistry, Crystallography, Crystal structure, Unit (ring theory), Molecule, Life Sciences, Computer science, Mathematics education, Chemical Crystallography, Peptide Synthesis and Drug Discovery, Programming language, Chemistry, QD901-999, Physical Sciences, Trioxane, Crystal Structure Refinement, Mathematics, Toluene

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
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