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Information card for entry 2105495
Preview
| Coordinates | 2105495.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | chlorimipramine hydrochloride |
|---|---|
| Formula | C19 H24 Cl2 N2 |
| Calculated formula | C19 H24 Cl2 N2 |
| Title of publication | The crystal and molecular structure of the tricyclic antidepressant chlorimipramine hydrochloride: 3-chloro-5-(3-dimethylaminopropyl)-10,11-dihydro-5H-dibenz[b,f]azepine hydrochloride |
| Authors of publication | Post, M. L.; Horn, A. S. |
| Journal of publication | Acta Crystallographica, Section B |
| Year of publication | 1977 |
| Journal volume | 33 |
| Pages of publication | 2590 - 2595 |
| a | 15.506 ± 0.003 Å |
| b | 8.605 ± 0.001 Å |
| c | 14.031 ± 0.004 Å |
| α | 90° |
| β | 96.69 ± 0.02° |
| γ | 90° |
| Cell volume | 1859.4 ± 0.7 Å3 |
| Number of distinct elements | 4 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | P 2yb |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301802 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/10 Each referenced PubChem compound corresponds to the full crystal structure. |
2105495.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2105495.cif |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2105495.cif |
| 88366 | 2013-09-06 | cif/2/10/ (saulius@koala.ibt.lt) For the entry 2105495.cif: a) corrected symmetry operators -- a full list is now included; b) changing atom type (in the atom site label) for the second atom: "C12" -> "Cl2", after consulting the original paper at http://dx.doi.org/10.1107/S0567740877008966 (PDF at http://journals.iucr.org/b/issues/1977/08/00/a14929/a14929.pdf) The entry now produces reasonable cell packing, and the computed summary formula now matches the published one. |
2105495.cif |
| 88355 | 2013-09-05 | cif/ Adding structures of 2105495 via cif-deposit CGI script. |
2105495.cif |
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