Single-crystal X-ray study T = 296 K Mean '(C±C) = 0.002 A Ê R factor = 0.038 wR factor = 0.101 Data-to-parameter ratio = 12.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
6,7-Dimethyl-3,4,4a,7,8,8a-hexahydroisochromen-1-one
✍ Scribed by Kayal, Nijhuma ;McKee, Vickie
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 313 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 11 H 16 O 2 , crystallized in space group P2 1 /n with two very similar molecules in the asymmetric unit. In each molecule, the two rings are fused in the endo con®guration.
📜 SIMILAR VOLUMES
The asymmetric unit of (I), showing 30% probability displacement ellipsoids and the atom-numbering scheme. H atoms have been omitted.
Single-crystal X-ray study T = 170 K Mean '(C±C) = 0.004 A Ê Disorder in main residue R factor = 0.047 wR factor = 0.139 Data-to-parameter ratio = 14.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C~16~H~18~N~2~O~3~, there is an intramolecular N—H...O hydrogen bond. Intermolecular C—H...O bonds stabilize the crystal packing.
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.007 A Ê Disorder in main residue R factor = 0.042 wR factor = 0.101 Data-to-parameter ratio = 9.4 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.