Information card for entry 2108831
Formula
C12 H11 N3 O3
Calculated formula
C12 H11 N3 O3
SMILES
O=c1n2c(nc3ccc(N(=O)=O)cc13)CCCC2
Title of publication
Structural insight from intermolecular interactions and energy framework analyses of 2-substituted 6,7,8,9-tetrahydro-11<i>H</i>-pyrido[2,1-b]quinazolin-11-ones
Authors of publication
Tojiboev, Akmaljon G.; Elmuradov, Burkhon Zh.; Mouhib, Halima; Turgunov, Kambarali K.; Abdurazakov, Askar Sh.; Makhmadiyarova, Charos E.; Tashkhodjaev, Bakhodir; Mirzaev, Sirojiddin Z.
Journal of publication
Acta Crystallographica Section B
Year of publication
2021
Journal volume
77
Journal issue
3
a
13.0177 ± 0.0003 Å
b
5.6433 ± 0.0014 Å
c
15.4366 ± 0.0004 Å
α
90°
β
105.949 ± 0.003°
γ
90°
Cell volume
1090.4 ± 0.3 Å3
Cell temperature
100 ± 2 K
Ambient diffraction temperature
100 ± 2 K
Number of distinct elements
4
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/n 1
Hall space group symbol
-P 2yn
Residual factor for all reflections
0.0519
Residual factor for significantly intense reflections
0.0398
Weighted residual factors for significantly intense reflections
0.1113
Weighted residual factors for all reflections included in the refinement
0.1182
Goodness-of-fit parameter for all reflections included in the refinement
1.057
Diffraction radiation wavelength
1.54184 Å
Diffraction radiation type
CuKα
Has coordinates
Yes
Has disorder
No
Has Fobs
Yes
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https://www.crystallography.net/2108831.html