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(5RS)-5-(4-Methoxyphenyl)-2-(methylsulfanyl)benzo[g]pyrimido[4,5-b]quinoline-4,6,11(3H,5H,12H)-trione, with Z '=3, forms a three-dimensional hydrogen-bonded framework containing five types of hydrogen bond

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Glidewell_2014_OC_5RS.pdf (871.2Kb)
Date
01/2014
Author
Castillo, Yelder A.
Zapata, Luis F.
Trilleras, Jorge
Cobo, Justo
Glidewell, Christopher
Keywords
crystal structure
hydrogen bonding
supramolecular aggregation
six-molecule aggregate
Phenylphosphonic acid
4,4'-sulfonyldiphenol
4,4'-thiodiphenol
Derivatives
Adducts
Agents
RADII
VAN
QD Chemistry
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Abstract
The title compound, C23H17N3O4S, crystallizes with Z' = 3 in the space group P. Two of the three independent molecules are broadly similar in terms of both their molecular conformations and their participation in hydrogen bonds, but the third molecule differs from the other two in both of these respects. The molecules are linked by a combination of N-HO, N-HN, C-HO, C-HN and  C-H(arene) hydrogen bonds to form a continuous three-dimensional framework structure within which a centrosymmetric six-molecule aggregate can be identified as a key structural element.
Citation
Castillo , Y A , Zapata , L F , Trilleras , J , Cobo , J & Glidewell , C 2014 , ' (5RS)-5-(4-Methoxyphenyl)-2-(methylsulfanyl)benzo[g]pyrimido[4,5-b]quinoline-4,6,11(3H,5H,12H)-trione, with Z '=3, forms a three-dimensional hydrogen-bonded framework containing five types of hydrogen bond ' , Acta Crystallographica Section C: Crystal Structure Communications , vol. 70 , pp. 50-54 . https://doi.org/10.1107/S2053229613032956
Publication
Acta Crystallographica Section C: Crystal Structure Communications
Status
Peer reviewed
DOI
https://doi.org/10.1107/S2053229613032956
ISSN
0108-2701
Type
Journal article
Rights
Copyright 2014 International Union of Crystallography
Description
The authors thank ‘Centro de Instrumentacion Cientıfico-Tecnica of Universidad de Jaen’ and the staff for data collection. YAC, LFZ and JT thank the Universidad del Atlantico and ‘Fundacion para la Promocion de la Investigacion y la Tecnologıa – Banco de la Republica’ Proyecto No. 2.627, Convenio No. 201001, for financial support. JC thanks the Consejerıa de Innovacion, Ciencia y Empresa (Junta de Andalucıa, Spain) and the Universidad de Jaen for financial support.
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  • University of St Andrews Research
URL
http://scripts.iucr.org/cgi-bin/sendsup?yf3052
URI
http://hdl.handle.net/10023/5251

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