Information card for entry 2312089
Chemical name
2-(Piperidine-1-sulfonyl)aniline
Formula
C11 H16 N2 O2 S
Calculated formula
C11 H16 N2 O2 S
Title of publication
N-Cycloamino substituent effects on the packing architecture of ortho-sulfanilamide molecular crystals and their in silico carbonic anhydrase II and IX inhibitory activities.
Authors of publication
Kolade, Sherif O.; Izunobi, Josephat U.; Gordon, Allen T.; Hosten, Eric C.; Olasupo, Idris A.; Ogunlaja, Adeniyi S.; Asekun, Olayinka T.; Familoni, Oluwole B.
Journal of publication
Acta crystallographica. Section C, Structural chemistry
Year of publication
2022
Journal volume
78
Journal issue
Pt 12
Pages of publication
730 - 742
a
11.1747 ± 0.0004 Å
b
10.485 ± 0.0004 Å
c
20.1368 ± 0.0008 Å
α
90°
β
90°
γ
90°
Cell volume
2359.36 ± 0.15 Å3
Cell temperature
200 ± 2 K
Ambient diffraction temperature
200 ± 2 K
Number of distinct elements
5
Space group number
61
Hermann-Mauguin space group symbol
P b c a
Hall space group symbol
-P 2ac 2ab
Residual factor for all reflections
0.0348
Residual factor for significantly intense reflections
0.0293
Weighted residual factors for significantly intense reflections
0.0818
Weighted residual factors for all reflections included in the refinement
0.0868
Goodness-of-fit parameter for all reflections included in the refinement
1.046
Diffraction radiation wavelength
0.71073 Å
Diffraction radiation type
MoKα
Has coordinates
Yes
Has disorder
No
Has Fobs
Yes
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/2312089.html