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Information card for entry 4002199
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Coordinates | 4002199.cif |
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Original paper (by DOI) | HTML |
Common name | Bupropion chloride ethanol solvate |
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Chemical name | N-t-Butyl-1-(3-chlorobenzoyl)ethylammonium chloride ethanol solvate |
Formula | C28 H44 Cl2 N2 O3 |
Calculated formula | C15 H25 Cl2 N O2 |
Title of publication | Conformational analysis and a crystal structure of bupropion, an antidepressant with dopamine reuptake blocking activity. |
Authors of publication | Froimowitz, Mark P.; George, Clifford |
Journal of publication | Journal of Chemical Information and Computer Sciences |
Year of publication | 1998 |
Journal volume | 38 |
Journal issue | 3 |
Pages of publication | 506 - 510 |
a | 7.571 ± 0.001 Å |
b | 9.31 ± 0.001 Å |
c | 11.687 ± 0.001 Å |
α | 94.58 ± 0.01° |
β | 101.49 ± 0.01° |
γ | 90.15 ± 0.01° |
Cell volume | 804.54 ± 0.16 Å3 |
Cell temperature | 293 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 significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.056 |
Diffraction radiation probe | x-ray |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4002199.cif |
135554 | 2015-05-05 | cif/ Adding structures of 4002199 via cif-deposit CGI script. |
4002199.cif |
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