Crystal structure of (E)-doxepin hydrochloride, C[subscript 19]H[subscript 22]NOCl

Hong, Jerry; Golab, Joseph T.; Kaduk, James A.; Gindhart, Amy M.; Blanton, Thomas N.

doi:10.1017/S0885715621000063

Crystal structure of (E)-doxepin hydrochloride, C[subscript 19]H[subscript 22]NOCl

Journal Article · Mon Mar 01 04:00:00 EST 2021 · Powder Diffr.

DOI:https://doi.org/10.1017/S0885715621000063· OSTI ID:1773617

Hong, Jerry; Golab, Joseph T.; Kaduk, James A.; Gindhart, Amy M.; Blanton, Thomas N.

Research Organization:: Advanced Photon Source (APS), Argonne National Laboratory (ANL), Argonne, IL (US)

Sponsoring Organization:: DOE - Office Of Science; DOE - BASIC ENERGY SCIENCES

OSTI ID:: 1773617

Journal Information:: Powder Diffr., Journal Name: Powder Diffr. Journal Issue: (1) Vol. 36

Country of Publication:: United States

Language:: ENGLISH

References (16)

GSAS-II : the genesis of a modern open-source all purpose crystallography software package Toby, Brian H.; Von Dreele, Robert B. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813003531	journal	March 2013
Consistent Gaussian basis sets of triple-zeta valence with polarization quality for solid-state calculations Peintinger, Michael F.; Oliveira, Daniel Vilela; Bredow, Thomas Journal of Computational Chemistry, Vol. 34, Issue 6 https://doi.org/10.1002/jcc.23153	journal	October 2012
Bonded-atom fragments for describing molecular charge densities Hirshfeld, F. L. Theoretica Chimica Acta, Vol. 44, Issue 2 https://doi.org/10.1007/BF00549096	journal	January 1977
Crystal field effects on the topological properties of the electron density in molecular crystals: The case of urea Gatti, C.; Saunders, V. R.; Roetti, C. The Journal of Chemical Physics, Vol. 101, Issue 12 https://doi.org/10.1063/1.467882	journal	December 1994
EXPO2013 : a kit of tools for phasing crystal structures from powder data Altomare, Angela; Cuocci, Corrado; Giacovazzo, Carmelo Journal of Applied Crystallography, Vol. 46, Issue 4 https://doi.org/10.1107/S0021889813013113	journal	July 2013
C RYSTAL14 : A program for the ab initio investigation of crystalline solids Dovesi, Roberto; Orlando, Roberto; Erba, Alessandro International Journal of Quantum Chemistry, Vol. 114, Issue 19 https://doi.org/10.1002/qua.24658	journal	March 2014
Mercury 4.0 : from visualization to analysis, design and prediction Macrae, Clare F.; Sovago, Ioana; Cottrell, Simon J. Journal of Applied Crystallography, Vol. 53, Issue 1 https://doi.org/10.1107/S1600576719014092	journal	February 2020
The Powder Diffraction File: a quality materials characterization database Gates-Rector, Stacy; Blanton, Thomas Powder Diffraction, Vol. 34, Issue 4 https://doi.org/10.1017/S0885715619000812	journal	November 2019
Retrieval of Crystallographically-Derived Molecular Geometry Information Bruno, Ian J.; Cole, Jason C.; Kessler, Magnus Journal of Chemical Information and Computer Sciences, Vol. 44, Issue 6 https://doi.org/10.1021/ci049780b	journal	November 2004
Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D) van de Streek, Jacco; Neumann, Marcus A. Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, Vol. 70, Issue 6, p. 1020-1032 https://doi.org/10.1107/S2052520614022902	journal	December 2014
The Cambridge Structural Database Groom, Colin R.; Bruno, Ian J.; Lightfoot, Matthew P. Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, Vol. 72, Issue 2, p. 171-179 https://doi.org/10.1107/S2052520616003954	journal	April 2016
A twelve-analyzer detector system for high-resolution powder diffraction Lee, Peter L.; Shu, Deming; Ramanathan, Mohan Journal of Synchrotron Radiation, Vol. 15, Issue 5 https://doi.org/10.1107/S0909049508018438	journal	July 2008
New software for statistical analysis of Cambridge Structural Database data Sykes, Richard A.; McCabe, Patrick; Allen, Frank H. Journal of Applied Crystallography, Vol. 44, Issue 4 https://doi.org/10.1107/S0021889811014622	journal	June 2011
A dedicated powder diffraction beamline at the Advanced Photon Source: Commissioning and early operational results Wang, Jun; Toby, Brian H.; Lee, Peter L. Review of Scientific Instruments, Vol. 79, Issue 8 https://doi.org/10.1063/1.2969260	journal	August 2008
Crystal structure of atomoxetine hydrochloride (Strattera), C ₁₇ H ₂₂ NOCl Kaduk, James A.; Crowder, Cyrus E.; Zhong, Kai Powder Diffraction, Vol. 29, Issue 3 https://doi.org/10.1017/S0885715614000517	journal	June 2014
Crystal and Molecular Structures of Tricyclic Neuroleptics Klein, Cheryl L.; Lear, Jennifer; O'Rourke, Sancerie Journal of Pharmaceutical Sciences, Vol. 83, Issue 9 https://doi.org/10.1002/jps.2600830914	journal	September 1994

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