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Information card for entry 2019090
Preview
Coordinates | 2019090.cif |
---|---|
Structure factors | 2019090.hkl |
Original IUCr paper | HTML |
Chemical name | (<i>E</i>)-2-(2-(2-chlorobenzylidene)hydrazinyl)quinoxaline |
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Formula | C15 H11 Cl N4 |
Calculated formula | C15 H11 Cl N4 |
SMILES | Clc1ccccc1/C=N/Nc1cnc2c(n1)cccc2 |
Title of publication | Comparison of the structure of (<i>E</i>)-2-(2-benzylidenehydrazinylidene)quinoxaline with those of its chloro- and bromobenzylidene analogues |
Authors of publication | Gomes, Ligia Rebelo; Low, John Nicolson; Rodrigues, Ana S. M. C.; Wardell, James L.; de Souza, Marcus V. N.; Noguiera, Thais C. M.; Pinheiro, Alessandra C. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 8 |
Pages of publication | 920 - 926 |
a | 6.687 ± 0.0007 Å |
b | 7.2591 ± 0.0008 Å |
c | 13.815 ± 0.0016 Å |
α | 77.957 ± 0.006° |
β | 77.357 ± 0.006° |
γ | 75.56 ± 0.005° |
Cell volume | 625.19 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1123 |
Residual factor for significantly intense reflections | 0.1076 |
Weighted residual factors for significantly intense reflections | 0.3071 |
Weighted residual factors for all reflections included in the refinement | 0.3089 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.179 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
180859 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/90. |
2019090.cif 2019090.hkl |
176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019090.cif 2019090.hkl |
89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019090.cif 2019090.hkl |
89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019090.cif 2019090.hkl |
88282 | 2013-09-04 | cif/ Adding structures of 2019089, 2019090, 2019091, 2019092, 2019093, 2019094, 2019095 via cif-deposit CGI script. |
2019090.cif |
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Users of the data should acknowledge the original authors of the
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