3-(1-Adamantyl)-6-methyl-3-(3-methylbenzyl)isochroman-1-one

BABJAKOVÁ, Eva, Marek NEČAS a Robert VÍCHA. 3-(1-Adamantyl)-6-methyl-3-(3-methylbenzyl)isochroman-1-one. Acta Crystallographica Section E: Structure Reports Online. Malden, USA: BLACKWELL PUBLISHING, 2009, roč. 65, č. 6, s. o1190, 1 s. ISSN 1600-5368.

Základní údaje

Originální název

3-(1-Adamantyl)-6-methyl-3-(3-methylbenzyl)isochroman-1-one

Název česky

3-(1-Adamantyl)-6-methyl-3-(3-methylbenzyl)isochroman-1-one

Autoři

BABJAKOVÁ, Eva, Marek NEČAS a Robert VÍCHA

Vydání

Acta Crystallographica Section E: Structure Reports Online, Malden, USA, BLACKWELL PUBLISHING, 2009, 1600-5368

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Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Obor

10401 Organic chemistry

Stát vydavatele

Velká Británie a Severní Irsko

Utajení

není předmětem státního či obchodního tajemství

Odkazy

URL

Impakt faktor

Impact factor: 0.411

Organizační jednotka

Přírodovědecká fakulta

UT WoS

000266514400087

Klíčová slova anglicky

3-(1-Adamantyl)-6-methyl-3-(3-methylbenzyl)isochroman-1-one

Příznaky

Mezinárodní význam, Recenzováno

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Anotace

V originále

In the title compound, C28H32O2, the oxanone ring adopts distorted half-boat conformation with the following Cremer and Pople puckering parameters: Q = 0.619 (2) angstrom, theta = 0.75 (19) and phi = 172 (13)degrees. The dihedral angle betwen two benzene rings is 21.32 (7)degrees. The adamantane unit consists of three fused cyclohexane rings in classical chair conformations, with absolute values of C-C-C-C torsion angles in the range 57.5 (2)-60.9 (2)degrees. Weak interactions of the type C-H center dot center dot center dot O link molecules of each enantiomer into chains parallel to the b axis and lying about inversion centers. The crystal packing is also stabilized by intermolecular pi-pi stacking interactions [centroid-centroid distance of 3.8566 (11) angstrom].

Česky

In the title compound, C28H32O2, the oxanone ring adopts distorted half-boat conformation with the following Cremer and Pople puckering parameters: Q = 0.619 (2) angstrom, theta = 0.75 (19) and phi = 172 (13)degrees. The dihedral angle betwen two benzene rings is 21.32 (7)degrees. The adamantane unit consists of three fused cyclohexane rings in classical chair conformations, with absolute values of C-C-C-C torsion angles in the range 57.5 (2)-60.9 (2)degrees. Weak interactions of the type C-H center dot center dot center dot O link molecules of each enantiomer into chains parallel to the b axis and lying about inversion centers. The crystal packing is also stabilized by intermolecular pi-pi stacking interactions [centroid-centroid distance of 3.8566 (11) angstrom].