(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

Yelder A. Castillo; Luis F. Zapata; Jorge Trilleras; Justo Cobo; Christopher Glidewell

doi:10.1107/S2053229613032956

(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

Yelder A. Castillo, Luis F. Zapata, Jorge Trilleras, Justo Cobo, Christopher Glidewell^*

^*Corresponding author for this work

School of Chemistry

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

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.

Original language	English
Pages (from-to)	50-54
Number of pages	19
Journal	Acta Crystallographica Section C: Crystal Structure Communications
Volume	70
DOIs	https://doi.org/10.1107/S2053229613032956
Publication status	Published - Jan 2014

Keywords

crystal structure
hydrogen bonding
supramolecular aggregation
six-molecule aggregate
Phenylphosphonic acid
4,4'-sulfonyldiphenol
4,4'-thiodiphenol
Derivatives
Adducts
Agents
RADII
VAN

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Glidewell_2014_OC_5RS
Copyright 2014 International Union of Crystallography
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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, 70, 50-54. https://doi.org/10.1107/S2053229613032956

Castillo, Yelder A. ; Zapata, Luis F. ; Trilleras, Jorge et al. / (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. In: Acta Crystallographica Section C: Crystal Structure Communications. 2014 ; Vol. 70. pp. 50-54.

@article{489b0562714d4d979e6ce9b9aeaf7d18,

title = "(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",

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.",

keywords = "crystal structure, hydrogen bonding, supramolecular aggregation, six-molecule aggregate, Phenylphosphonic acid, 4,4'-sulfonyldiphenol, 4,4'-thiodiphenol, Derivatives, Adducts, Agents, RADII, VAN",

author = "Castillo, \{Yelder A.\} and Zapata, \{Luis F.\} and Jorge Trilleras and Justo Cobo and Christopher Glidewell",

note = "The authors thank {\textquoteleft}Centro de Instrumentacion Cientıfico-Tecnica of Universidad de Jaen{\textquoteright} and the staff for data collection. YAC, LFZ and JT thank the Universidad del Atlantico and {\textquoteleft}Fundacion para la Promocion de la Investigacion y la Tecnologıa – Banco de la Republica{\textquoteright} 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.",

year = "2014",

month = jan,

doi = "10.1107/S2053229613032956",

language = "English",

volume = "70",

pages = "50--54",

journal = "Acta Crystallographica Section C: Crystal Structure Communications",

issn = "0108-2701",

publisher = "International Union of Crystallography",

}

Castillo, YA, Zapata, LF, 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

(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. / Castillo, Yelder A.; Zapata, Luis F.; Trilleras, Jorge et al.
In: Acta Crystallographica Section C: Crystal Structure Communications, Vol. 70, 01.2014, p. 50-54.

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

TY - JOUR

T1 - (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

AU - Castillo, Yelder A.

AU - Zapata, Luis F.

AU - Trilleras, Jorge

AU - Cobo, Justo

AU - Glidewell, Christopher

N1 - 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.

PY - 2014/1

Y1 - 2014/1

N2 - 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.

AB - 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.

KW - crystal structure

KW - hydrogen bonding

KW - supramolecular aggregation

KW - six-molecule aggregate

KW - Phenylphosphonic acid

KW - 4,4'-sulfonyldiphenol

KW - 4,4'-thiodiphenol

KW - Derivatives

KW - Adducts

KW - Agents

KW - RADII

KW - VAN

UR - http://scripts.iucr.org/cgi-bin/sendsup?yf3052

UR - https://www.scopus.com/pages/publications/84901911054

U2 - 10.1107/S2053229613032956

DO - 10.1107/S2053229613032956

M3 - Article

SN - 0108-2701

VL - 70

SP - 50

EP - 54

JO - Acta Crystallographica Section C: Crystal Structure Communications

JF - Acta Crystallographica Section C: Crystal Structure Communications

ER -

Castillo YA, Zapata LF, Trilleras J, Cobo J, Glidewell C. (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. 2014 Jan;70:50-54. doi: 10.1107/S2053229613032956

(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

Abstract

Keywords

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