Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenyl-methylester

Anatoly Mishnev; Egils Bisenieks; Ilona Mandrika; Ramona Petrovska; Zenta Kalme; Imanta Bruvere; Gunars Duburs

doi:10.1107/S2056989018014251

Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenyl-methylester

Anatoly Mishnev^*
, Egils Bisenieks
, Ilona Mandrika
, Ramona Petrovska
, Zenta Kalme
, Imanta Bruvere
, Gunars Duburs

^*Corresponding author for this work

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

4 Citations (Scopus)

Abstract

In the title compound, C₂₅H₂₅NO₅S, which exhibits metabolism-regulating activity, the 1,4-dihydropyridine ring adopts a flattened boat conformation while the cyclohexenone ring is in an envelope conformation. Molecules in the crystal are assembled into C(6) chains along the a-axis direction via N - H⋯O hydrogen bonds. The thienyl fragment is disordered over two sets of sites in a 0.7220 (19):0.2780 (19) ratio.

Original language	English
Pages (from-to)	1577-1579
Number of pages	3
Journal	Acta Crystallographica Section E: Crystallographic Communications
Volume	74
DOIs	https://doi.org/10.1107/S2056989018014251
Publication status	Published - 2018
Externally published	Yes

Keywords

1,4-dihydropyridine
Crystal structure
disorder
metabolic activity

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10.1107/S2056989018014251

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Mishnev, A., Bisenieks, E., Mandrika, I., Petrovska, R., Kalme, Z., Bruvere, I., & Duburs, G. (2018). Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenyl-methylester. Acta Crystallographica Section E: Crystallographic Communications, 74, 1577-1579. https://doi.org/10.1107/S2056989018014251

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title = "Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenyl-methylester",

abstract = "In the title compound, C25H25NO5S, which exhibits metabolism-regulating activity, the 1,4-dihydropyridine ring adopts a flattened boat conformation while the cyclohexenone ring is in an envelope conformation. Molecules in the crystal are assembled into C(6) chains along the a-axis direction via N - H⋯O hydrogen bonds. The thienyl fragment is disordered over two sets of sites in a 0.7220 (19):0.2780 (19) ratio.",

keywords = "1,4-dihydropyridine, Crystal structure, disorder, metabolic activity",

author = "Anatoly Mishnev and Egils Bisenieks and Ilona Mandrika and Ramona Petrovska and Zenta Kalme and Imanta Bruvere and Gunars Duburs",

note = "Publisher Copyright: {\textcopyright} 2018 Mishnev et al.",

year = "2018",

doi = "10.1107/S2056989018014251",

language = "English",

volume = "74",

pages = "1577--1579",

journal = "Acta Crystallographica Section E: Crystallographic Communications",

issn = "2056-9890",

publisher = "International Union of Crystallography",

}

Mishnev, A, Bisenieks, E, Mandrika, I, Petrovska, R, Kalme, Z, Bruvere, I & Duburs, G 2018, 'Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenyl-methylester', Acta Crystallographica Section E: Crystallographic Communications, vol. 74, pp. 1577-1579. https://doi.org/10.1107/S2056989018014251

Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenyl-methylester. / Mishnev, Anatoly; Bisenieks, Egils; Mandrika, Ilona et al.
In: Acta Crystallographica Section E: Crystallographic Communications, Vol. 74, 2018, p. 1577-1579.

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

TY - JOUR

T1 - Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenyl-methylester

AU - Mishnev, Anatoly

AU - Bisenieks, Egils

AU - Mandrika, Ilona

AU - Petrovska, Ramona

AU - Kalme, Zenta

AU - Bruvere, Imanta

AU - Duburs, Gunars

PY - 2018

Y1 - 2018

N2 - In the title compound, C25H25NO5S, which exhibits metabolism-regulating activity, the 1,4-dihydropyridine ring adopts a flattened boat conformation while the cyclohexenone ring is in an envelope conformation. Molecules in the crystal are assembled into C(6) chains along the a-axis direction via N - H⋯O hydrogen bonds. The thienyl fragment is disordered over two sets of sites in a 0.7220 (19):0.2780 (19) ratio.

AB - In the title compound, C25H25NO5S, which exhibits metabolism-regulating activity, the 1,4-dihydropyridine ring adopts a flattened boat conformation while the cyclohexenone ring is in an envelope conformation. Molecules in the crystal are assembled into C(6) chains along the a-axis direction via N - H⋯O hydrogen bonds. The thienyl fragment is disordered over two sets of sites in a 0.7220 (19):0.2780 (19) ratio.

KW - 1,4-dihydropyridine

KW - Crystal structure

KW - disorder

KW - metabolic activity

UR - https://www.scopus.com/pages/publications/85056490493

U2 - 10.1107/S2056989018014251

DO - 10.1107/S2056989018014251

M3 - Article

AN - SCOPUS:85056490493

SN - 2056-9890

VL - 74

SP - 1577

EP - 1579

JO - Acta Crystallographica Section E: Crystallographic Communications

JF - Acta Crystallographica Section E: Crystallographic Communications

ER -

Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenyl-methylester

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Keywords

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