Crystallography Open Database

Information card for entry 2105495

Preview

Coordinates	2105495.cif
Original paper (by DOI)	HTML

Structure parameters

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 F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	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