Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7221877
Preview
Coordinates | 7221877.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | acetazolamide |
---|---|
Chemical name | acetazolamide |
Formula | C4 H6 N4 O3 S2 |
Calculated formula | C4 H6 N4 O3 S2 |
Title of publication | SO chalcogen bonding in sulfa drugs: insights from multipole charge density and X-ray wavefunction of acetazolamide. |
Authors of publication | Thomas, Sajesh P.; Jayatilaka, Dylan; Guru Row, T. N. |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 38 |
Pages of publication | 25411 - 25420 |
a | 5.2819 ± 0.0005 Å |
b | 8.9293 ± 0.0009 Å |
c | 9.3525 ± 0.0009 Å |
α | 104.658 ± 0.009° |
β | 99.308 ± 0.008° |
γ | 99.803 ± 0.008° |
Cell volume | 410.69 ± 0.07 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.015 |
Residual factor for significantly intense reflections | 0.013 |
Weighted residual factors for all reflections included in the refinement | 0.034 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.923 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7221877.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.