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Title: Crystal Structure of Hydrazinium Iodide by Neutron Diffraction

The structure of hydrazinium iodide, [H 5N 2] +·I -, at 100 K has monoclinic (P2 1/n) symmetry from single crystal neutron diffraction with a = 7.4599(7) Å, b = 5.3185(6) Å, c = 10.1628(11) Å, β = 103.150(10)°, V = 392.64(7) Å 3, Z = 4. The refinement converged to R = 0.0575, wR 2 = 0.1602, S = 1.022. Data for the crystal structure was collected on the SNS TOPAZ single-crystal time-of-flight Laue diffractometer. The compound has a one-dimensional structure which displays N–H···N hydrogen bonding. Finally, accurate intra- and intermolecular N–H distances have been determined.
Authors:
ORCiD logo [1] ; ORCiD logo [2] ; ORCiD logo [1]
  1. Univ. of Utah, Salt Lake City, UT (United States). Dept. of Chemistry
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Neutron Scattering Division
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Crystallography
Additional Journal Information:
Journal Volume: 47; Journal Issue: 6; Journal ID: ISSN 1074-1542
Publisher:
Springer
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Utah, Salt Lake City, UT (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE; crystal structure; hydrazine; hydrazinium; neutron diffraction; hydrogen bonding
OSTI Identifier:
1422603

Campbell, Eric V., Wang, Xiaoping, and Miller, Joel S.. Crystal Structure of Hydrazinium Iodide by Neutron Diffraction. United States: N. p., Web. doi:10.1007/s10870-017-0704-0.
Campbell, Eric V., Wang, Xiaoping, & Miller, Joel S.. Crystal Structure of Hydrazinium Iodide by Neutron Diffraction. United States. doi:10.1007/s10870-017-0704-0.
Campbell, Eric V., Wang, Xiaoping, and Miller, Joel S.. 2017. "Crystal Structure of Hydrazinium Iodide by Neutron Diffraction". United States. doi:10.1007/s10870-017-0704-0. https://www.osti.gov/servlets/purl/1422603.
@article{osti_1422603,
title = {Crystal Structure of Hydrazinium Iodide by Neutron Diffraction},
author = {Campbell, Eric V. and Wang, Xiaoping and Miller, Joel S.},
abstractNote = {The structure of hydrazinium iodide, [H5N2]+·I-, at 100 K has monoclinic (P21/n) symmetry from single crystal neutron diffraction with a = 7.4599(7) Å, b = 5.3185(6) Å, c = 10.1628(11) Å, β = 103.150(10)°, V = 392.64(7) Å3, Z = 4. The refinement converged to R = 0.0575, wR 2 = 0.1602, S = 1.022. Data for the crystal structure was collected on the SNS TOPAZ single-crystal time-of-flight Laue diffractometer. The compound has a one-dimensional structure which displays N–H···N hydrogen bonding. Finally, accurate intra- and intermolecular N–H distances have been determined.},
doi = {10.1007/s10870-017-0704-0},
journal = {Journal of Chemical Crystallography},
number = 6,
volume = 47,
place = {United States},
year = {2017},
month = {10}
}

Works referenced in this record:

Crystal structure refinement with SHELXL
journal, January 2015
  • Sheldrick, George M.
  • Acta Crystallographica Section C Structural Chemistry, Vol. 71, Issue 1, p. 3-8
  • DOI: 10.1107/S2053229614024218