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Information card for entry 7151387
Preview
Coordinates | 7151387.cif |
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Original paper (by DOI) | HTML |
Common name | 1-(2-hydroxy-5-nitrophenyl)ethanone |
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Chemical name | 1-(2-hydroxy-5-nitrophenyl)ethanone |
Formula | C8 H7 N O4 |
Calculated formula | C8 H7 N O4 |
Title of publication | X‒N Charge density analysis of the hydrogen bonding motif in 1-(2-hydroxy-5-nitrophenyl)ethanoneElectronic supplementary information (ESI) available: multipole population coefficients and pseudoatom parameterization. See http://www.rsc.org/suppdata/ob/b2/b211683a/ |
Authors of publication | Hibbs, David E.; Overgaard, Jacob; Piltz, Ross O. |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2003 |
Journal volume | 1 |
Journal issue | 7 |
Pages of publication | 1191 |
a | 15.2399 Å |
b | 7.2338 Å |
c | 7.2773 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 802.267 Å3 |
Cell temperature | 100 ± 1 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.027 |
Residual factor for significantly intense reflections | 0.026 |
Weighted residual factors for significantly intense reflections | 0.022 |
Weighted residual factors for all reflections included in the refinement | 0.022 |
Goodness-of-fit parameter for all reflections included in the refinement | 2 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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