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Information card for entry 2019015
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 2019015.cif |
---|---|
Structure factors | 2019015.hkl |
Original IUCr paper | HTML |
Chemical name | 4-(2-Chlorophenyl)pyrrolo[1,2-<i>a</i>]quinoxaline |
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Formula | C17 H11 Cl N2 |
Calculated formula | C17 H11 Cl N2 |
SMILES | Clc1ccccc1c1nc2ccccc2n2c1ccc2 |
Title of publication | A chain of π-stacked molecules in 4-(2-chlorophenyl)pyrrolo[1,2-<i>a</i>]quinoxaline and a hydrogen-bonded sheet in (4<i>RS</i>)-4-(1,3-1,3-benzodioxol-6-yl)-4,5-dihydropyrrolo[1,2-<i>a</i>]quinoxaline |
Authors of publication | Castillo, Juan C.; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 5 |
Pages of publication | 544 - 548 |
a | 13.5649 ± 0.0013 Å |
b | 11.8142 ± 0.0011 Å |
c | 8.1678 ± 0.0012 Å |
α | 90° |
β | 99.281 ± 0.01° |
γ | 90° |
Cell volume | 1291.8 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.07 |
Residual factor for significantly intense reflections | 0.0426 |
Weighted residual factors for significantly intense reflections | 0.0994 |
Weighted residual factors for all reflections included in the refinement | 0.1161 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
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/2019015.html
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