Crystal structures of five (2-chloroquinolin-3-yl)methyl ethers: supramolecular assembly in one and two dimensions mediated by hydrogen bonding and π–π stacking

Sowmya, H.B.V.; Kumara, T.H. Suresha; Nagendrappa, Gopalpur; Jasinski, Jerry P.; Millikan, Sean P.; Yathirajan, H. S.; Glidewell, Christopher

doi:10.1107/s2056989015008233

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References 24 publications

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“…8% of the $300 structures investigated) in which there is an unmistakable trend towards following the patterns lined up by some simple space groups. Or, in other words, once described in an adequate reference frame (not Case 3a is for CSD refcode HIDYIC (Glidewell et al, 1996), Case 3b for LIJLOG (Butcher et al, 2007), Case 3c for BAUSTD (Engel & Kruger, 1976) and Case 3d for TUJMIW (Sowmya et al, 2015). Case 3e is for HUMQUB (Deng et al, 2002) and shows (left) the PS disposition in space and (right) the collapse of the dimers when the 2 1 symmetry operation is applied.…”

Section: Case Studies 4: Mimicking Of Real Space Groupsmentioning

confidence: 99%

Playing around with MP, a tool for the analysis of pseudosymmetry: recurrent appearance of local pseudo-space groups in the asymmetric unit of Z′ = 4 structures

Baggio

2020

Acta Crystallogr C

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A systematic application of the MP procedure [Baggio (2019). Acta Cryst. C75, 837–850] to a subset of Z′ = 4 structures in the literature revealed a number of suggestive properties in many of the cases analysed, which allowed us to conclude that: (i) very few of those structures showed no pseudosymmetry (PS) whatsoever linking any of the possible moiety pairs in the asymmetric unit (AU), the vast majority disclosing, instead, at least two (and frequently more) molecules linked by these PS operations; (ii) on occasion, two pairs of molecules were related, each by the same PS element, enabling the resulting pair of dimers to be viewed locally as a Z′ = 2 rather than a Z′ = 4 case; (iii) sometimes all four moieties in the AU appeared interrelated by PS relationships, closely suggesting a distribution of symmetry operations as found in real space groups; (iv) in many cases, this resemblance was of a superior quality, leading to surprising local replicas of real space groups in the reduced realm of the AU, thus locally reducing the description to a Z′ = 1 one. Through a systematic application of the MP procedure, we analyze in this article a number of these latter cases, which proved to be surprisingly common, far beyond any original expectation, and leaving open the question about the eventual reasons for the phenomenon, which would certainly merit appropriate theoretical attention.

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Section: Case Studies 4: Mimicking Of Real Space Groupsmentioning

confidence: 99%

Playing around with MP, a tool for the analysis of pseudosymmetry: recurrent appearance of local pseudo-space groups in the asymmetric unit of Z′ = 4 structures

Baggio

2020

Acta Crystallogr C

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Crystal structures of five (2-chloroquinolin-3-yl)methyl ethers: supramolecular assembly in one and two dimensions mediated by hydrogen bonding and π–π stacking

Abstract: Five closely related (2-chloroquinlin-3-yl)methyl ethers all exhibit different patterns of direction-specific intermolecular interactions, leading to the formation of different types of chain in four of them and sheets in the fifth.

Cited by 1 publication

References 24 publications

Playing around with MP, a tool for the analysis of pseudosymmetry: recurrent appearance of local pseudo-space groups in the asymmetric unit of Z′ = 4 structures

Playing around with MP, a tool for the analysis of pseudosymmetry: recurrent appearance of local pseudo-space groups in the asymmetric unit of Z′ = 4 structures

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Crystal structures of five (2-chloroquinolin-3-yl)methyl ethers: supramolecular assembly in one and two dimensions mediated by hydrogen bonding and π–π stacking

Abstract: Five closely related (2-chloro­quinlin-3-yl)methyl ethers all exhibit different patterns of direction-specific inter­molecular inter­actions, leading to the formation of different types of chain in four of them and sheets in the fifth.

Cited by 1 publication

References 24 publications

Playing around with MP, a tool for the analysis of pseudosymmetry: recurrent appearance of local pseudo-space groups in the asymmetric unit of Z′ = 4 structures

Playing around with MP, a tool for the analysis of pseudosymmetry: recurrent appearance of local pseudo-space groups in the asymmetric unit of Z′ = 4 structures

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Abstract: Five closely related (2-chloroquinlin-3-yl)methyl ethers all exhibit different patterns of direction-specific intermolecular interactions, leading to the formation of different types of chain in four of them and sheets in the fifth.