at Google ScholarTitle data
Schmidt, Martin U. ; Dinnebier, Robert E.:
Combination of energy minimizations and rigid-body Rietveld refinement : the structure of 2,5-dihydroxybenzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one.
In: Journal of Applied Crystallography.
Vol. 32
(1999)
Issue 2
.
- pp. 178-186.
ISSN 1600-5767
DOI: https://doi.org/10.1107/S0021889898011157
Abstract in another language
The crystal structure of the yellow pigment 2,5-dihydroxybenzo[de]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one (C₁₈H₁₀N₂O₃) was determined from powder data. The crystal structure was solved by minimizing the intermolecular energy starting from random packings. Subsequently, the structure was refined by rigid-body Rietveld analysis, using synchrotron powder data. The refinement included several intramolecular degrees of freedom. The compound crystallizes in Pna2₁, Z=4, with lattice parameters a=13.2759 (3), b=20.9561 (5), c=4.7798 (1)Å, and V=1329.79 (5)ų. The crystal consists of planar molecules, connected by hydrogen bonds of the types O-H...OH and O-H...N, which form a three-dimensional hydrogen-bond network.
Further data
| Item Type: | Article in a journal |
|---|---|
| Refereed: | Yes |
| Institutions of the University: | Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography Faculties Faculties > Faculty of Mathematics, Physics und Computer Science Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences |
| Result of work at the UBT: | Yes |
| DDC Subjects: | 500 Science > 530 Physics |
| Date Deposited: | 10 Jun 2016 08:16 |
| Last Modified: | 10 Jun 2016 08:16 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/32641 |