Sample Originator: Terry L. Threlfalla.
Data Collection: Susanne L. Hutha
Structure Determination: Susanne L. Hutha and Michael B. Hursthousea.
University of Southamptona
C9H9N1O3
InChI=1/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
| Identification Number: | 10.5258/ecrystals/545 |
|---|
| Controlled Keywords: | para-substituted acetanilide |
|---|
| Date Created: | 21 June 2008 |
|---|
| Deposited On: | 01 Aug 2008 17:36 |
|---|
| Deposited By: | Mrs L. Susanne Coles (née) Huth |
|---|
Data collection parameters
| Chemical formula | C9 H9 N O3 |
| Crystal morphology | Plate |
| Crystal system | Triclinic |
| Space group symbol | P -1 |
| Cell length a | 5.0214(3) |
| Cell length b | 6.8411(5) |
| Cell length c | 12.2219(10) |
| Cell angle alpha | 89.465(4) |
| Cell angle beta | 80.477(4) |
| Cell angle gamma | 79.234(4) |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | 0.0332 |
| R Factor (Obs) | 0.0644 |
| R Factor (All) | 0.0999 |
| Weighted R Factor (Obs) | 0.1258 |
| Weighted R Factor (All) | 0.1454 |
Citation: Huth, Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/545)
Export as: oreChem EndNote BibTeX ASCII Citation
Repository Staff Only: item control page
