Crystal Structure of Hydrazinium Iodide by Neutron Diffraction

Eric V. Campbell; Xiaoping Wang; Joel S. Miller

doi:10.1007/s10870-017-0704-0

Crystal Structure of Hydrazinium Iodide by Neutron Diffraction

Eric V. Campbell, Xiaoping Wang, Joel S. Miller

Single Crystal Diffraction

Research output: Contribution to journal › Article › peer-review

Abstract

Abstract: 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, wR² = 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–HN hydrogen bonding. Accurate intra- and intermolecular N–H distances have been determined. Graphical Abstract: Extended hydrogen bonds among the hydrazinium cations in the crystal structure of N₂H₅I. [Figure not available: see fulltext.].

Original language	English
Pages (from-to)	241-244
Number of pages	4
Journal	Journal of Chemical Crystallography
Volume	47
Issue number	6
DOIs	https://doi.org/10.1007/s10870-017-0704-0
State	Published - Dec 1 2017

Funding

Acknowledgements Neutron single crystal diffraction experiment conducted at the ORNL Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U. S. Department of Energy. Images of structures generated using CrystalMaker®; CrystalMaker Software Ltd, Oxford, England.

Keywords

Crystal structure
Hydrazine
Hydrazinium
Hydrogen bonding
Neutron diffraction

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title = "Crystal Structure of Hydrazinium Iodide by Neutron Diffraction",

abstract = "Abstract: 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) {\AA}, b = 5.3185(6) {\AA}, c = 10.1628(11) {\AA}, β = 103.150(10)°, V = 392.64(7) {\AA}3, Z = 4. The refinement converged to R = 0.0575, wR2 = 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–HN hydrogen bonding. Accurate intra- and intermolecular N–H distances have been determined. Graphical Abstract: Extended hydrogen bonds among the hydrazinium cations in the crystal structure of N2H5I. [Figure not available: see fulltext.].",

keywords = "Crystal structure, Hydrazine, Hydrazinium, Hydrogen bonding, Neutron diffraction",

author = "Campbell, {Eric V.} and Xiaoping Wang and Miller, {Joel S.}",

note = "Publisher Copyright: {\textcopyright} 2017, Springer Science+Business Media, LLC.",

year = "2017",

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doi = "10.1007/s10870-017-0704-0",

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T1 - Crystal Structure of Hydrazinium Iodide by Neutron Diffraction

AU - Campbell, Eric V.

AU - Wang, Xiaoping

AU - Miller, Joel S.

PY - 2017/12/1

Y1 - 2017/12/1

N2 - Abstract: 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, wR2 = 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–HN hydrogen bonding. Accurate intra- and intermolecular N–H distances have been determined. Graphical Abstract: Extended hydrogen bonds among the hydrazinium cations in the crystal structure of N2H5I. [Figure not available: see fulltext.].

AB - Abstract: 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, wR2 = 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–HN hydrogen bonding. Accurate intra- and intermolecular N–H distances have been determined. Graphical Abstract: Extended hydrogen bonds among the hydrazinium cations in the crystal structure of N2H5I. [Figure not available: see fulltext.].

KW - Crystal structure

KW - Hydrazine

KW - Hydrazinium

KW - Hydrogen bonding

KW - Neutron diffraction

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JO - Journal of Chemical Crystallography

JF - Journal of Chemical Crystallography

IS - 6

ER -

Crystal Structure of Hydrazinium Iodide by Neutron Diffraction

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Keywords

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