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Powder Diffraction
Article . 2005 . Peer-reviewed
License: Cambridge Core User Agreement
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DIGITAL.CSIC
Article . 2010 . Peer-reviewed
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Crystal structure determination of 1-pentanol from low-temperature powder diffraction data by Patterson search methods

Authors: Ramírez Cardona, Màrius; Ventolà, L.; Calvet, Teresa; Cuevas Diarte, Miguel Ángel; Rius, Jordi; Amigó, J. M.; Reventós, M. M.;

Crystal structure determination of 1-pentanol from low-temperature powder diffraction data by Patterson search methods

Abstract

In the course of our research on normal alkanols, the crystal structure of 1-pentanol has been solved by applying Patterson-search methods to laboratory powder X-ray diffraction data recorded on a curved position-sensitive detector (CPS120) at 183 K. The crystal structure was refined with the rigid-body Rietveld least-squares method. The cell is monoclinic, space group P 2 1 ∕ c , Z =4, and the cell parameters are a =15.592(9) Å, b =4.349(1) Å, c =9.157(1) Å, β =104.7(7)°, V =600.6(3) Å 3 . There is one molecule in the asymmetric unit with the O–H bond in gauche conformation with respect to the alkyl skeleton. Packing is defined by the hydrogen bonds linking the 1-pentanol molecules along zigzag chains parallel to b .

Country
Spain
Keywords

Organic compounds, Crystal structures, Space groups, Lattice constants, Molecular configurations, X-ray diffraction, Hydrogen bonds

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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