Journal Article

PUBDB-2018-03799

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Role of Steric Hindrance in the Crystal Packing of Z ′ = 4 Superstructure of Trimethyltin Hydroxide

Dey, S.Extern* ; Schoenleber, A. (Corresponding author) ; Mondal, S. ; Ali, S. I. ; van Smaalen, S. (Corresponding author)

2018
ACS Publ. Washington, DC

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Please use a persistent id in citations: doi:10.1021/acs.cgd.7b01295

Abstract: The room-temperature crystal structure of trimethyltin hydroxide, (CH$_3$)$_3$SnOH, has been described by Anderson et al. [Cryst. Growth Des. 2011, 11, 820–826] as a 2a × 2b × 8c, 32-fold superstructure. We report a a × b × 8c, eight-fold superstructure with orthorhombic P2$_1$cn symmetry and Z′ = 4. Structured diffuse scattering observed at the positions of presumed superlattice reflections along a* and b* might have appeared as Bragg reflections in the experiment by Anderson et al. Alternatively, Anderson et al. and the present work might have studied different polymorphs of (CH$_3$)$_3$SnOH. Crystalline (CH$_3$)$_3$SnOH constitutes polymeric chains arranged parallel to c. In the eight-fold superstructure at 220 K, the polymeric chains possess a distorted zigzag arrangement of linked linear O–Sn–O units with bent angle at oxygen of ∼139.2°. This structure is essentially different from the 8$_3$-helical arrangement in the published 32-fold superstructure model. The origin of the distorted zigzag structure is explained by steric hindrance between hydrogen atoms of adjacent hydroxy groups and (CH$_3$)$_3$Sn groups. Frustration in the packing of the chains is determined by steric hindrance between methyl groups of neighboring chains, which prevents the formation of interchain C–H···O hydrogen bonds.

Note: © American Chemical Society; Post referee fulltext in progress; Embargo 12 months from publication

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Contributing Institute(s):

1. DOOR-User (DOOR)

Research Program(s):

1. 899 - ohne Topic (POF3-899) (POF3-899)
2. FS-Proposal: I-20110939 (I-20110939) (I-20110939)

Experiment(s):

1. DORIS Beamline F1 (DORIS III)

Appears in the scientific report 2018

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Database coverage:
; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF < 5 ; JCR ; NCBI Molecular Biology Database ; No Authors Fulltext ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Web of Science Core Collection

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