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Information card for entry 2312413
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Coordinates | 2312413.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | Methyl 4-{2,2-dichloro-1-[(<i>E</i>)-(3,4-dimethylphenyl)diazenyl]ethenyl}benzoate |
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Formula | C18 H16 Cl2 N2 O2 |
Calculated formula | C18 H16 Cl2 N2 O2 |
Title of publication | Crystal structures and Hirshfeld surface analyses of methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-phenyl-diazen-yl]eth-enyl}benzoate, methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-(4-methyl-phen-yl)diazen-yl]ethen-yl}benzoate and methyl 4-{2,2-di-chloro-1-[(<i>E</i>)-(3,4-di-methyl-phen-yl)diazen-yl]ethen-yl}benzoate. |
Authors of publication | Shikhaliyev, Namiq Q.; İbrahimova, Shafiga A; Atakishiyeva, Gulnar T.; Ahmedova, Nigar E.; Babayeva, Gulnara V.; Khrustalev, Victor N.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya |
Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | Pt 2 |
Pages of publication | 184 - 190 |
a | 8.22057 ± 0.0001 Å |
b | 8.53211 ± 0.00009 Å |
c | 13.08729 ± 0.00014 Å |
α | 103.948 ± 0.0009° |
β | 101.905 ± 0.001° |
γ | 98.06 ± 0.0009° |
Cell volume | 854.086 ± 0.018 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0371 |
Residual factor for significantly intense reflections | 0.0348 |
Weighted residual factors for significantly intense reflections | 0.0951 |
Weighted residual factors for all reflections included in the refinement | 0.0974 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2312413.html
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