X-ray Mapping in Heterocyclic Design: XIV. Tricyclic Heterocycles Based on 2-Oxo-1,2,5,6,7,8-Hexahydroquinoline-3-Carbonitrile

Mazina, O S; Rybakov, V B; Chernyshev, V V; Babaev, E V; Aslanov, L A

doi:10.1134/1.1828145

Title: X-ray Mapping in Heterocyclic Design: XIV. Tricyclic Heterocycles Based on 2-Oxo-1,2,5,6,7,8-Hexahydroquinoline-3-Carbonitrile

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Abstract

The structures of four compounds are studied using single-crystal X-ray diffraction: 1-[2-(4-chlorophenyl)-2-oxoethyl]-2-oxo-1,2,5,6,7,8-hexahydroquinoline -3-carbonitrile [a = 4.908(4) A, b = 11.644(10) A, c = 13.587(2) A, {beta} = 94.31(5) deg., Z = 2, space group P2{sub 1}]; 2-[2-(4-chlorophenyl)-2-oxoethoxy]-5,6,7,8-tetrahydroquinoline -3-carbonitrile [a = 7.6142(8) A, b = 14.778(2) A, c = 14.132(2) A, {beta} = 100.38(1) deg., Z = 4, space group P2{sub 1}/c]; 4-(aminocarbonyl)-2-(chlorophenyl)-6,7,8,9-tetrahydro[1.3]oxazolo[3,2-a] quinolin-3-ium perchlorate [a = 5.589(7) A, b = 24.724(15) A, c = 13.727(5) A, {beta} = 97.66(9) deg., Z = 4, space group P2{sub 1}/n]; and (3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-(4-chlorophenyl) methanone [a = 7.150(2) A, b = 7.4288(10) A, c = 15.314(3) A, {alpha} = 98.030(10) deg., {beta} = 99.21(2) deg., {gamma} = 105.34(2) deg., Z = 2, space group P1-bar]. The structures are solved by direct methods and refined by the full-matrix least-squares procedure in the anisotropic approximation to R = 0.0728, 0.0439, 0.1228, and 0.0541, respectively. The structure of 1-(4-chlorophenyl)-4-piperidin-1-yl-8,9-dihydro-7H-pyrrolo[3.2.1-ij] quinoline-5-carboxamide [a = 23.9895(9) A, b = 5.1557(3) A, c = 17.0959(9) A, {beta} = 106.43 deg., Z = 4, space group P{sub 1}/c] is investigated by X-ray powder diffraction. This structure is solved using the grid search procedure and refined by the Rietveld method to R{sub wp} =more »« less

Authors:

Mazina, O S; Rybakov, V B; Chernyshev, V V; Babaev, E V; Aslanov, L A ^[1]

Moscow State University, Vorob'evy gory, Moscow, 119992 (Russian Federation)

Publication Date:: Mon Nov 01 00:00:00 EST 2004

OSTI Identifier:: 20666228

Resource Type:: Journal Article

Journal Name:: Crystallography Reports

Additional Journal Information:: Journal Volume: 49; Journal Issue: 6; Other Information: Translated from Kristallografiya, ISSN 0023-4761, 49, 1095-1106 (No. 6, 2004); DOI: 10.1134/1.1828145; (c) 2004 MAIK ''Nauka / Interperiodica''; Country of input: International Atomic Energy Agency (IAEA); TN:; Journal ID: ISSN 1063-7745

Country of Publication:: United States

Language:: English

Subject:: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ANISOTROPY; LEAST SQUARE FIT; MONOCLINIC LATTICES; MONOCRYSTALS; ORGANIC COMPOUNDS; PERCHLORATES; SPACE GROUPS; TRICLINIC LATTICES; X-RAY DIFFRACTION

Citation Formats


                    Mazina, O S, Rybakov, V B, Chernyshev, V V, Babaev, E V, and Aslanov, L A. X-ray Mapping in Heterocyclic Design: XIV. Tricyclic Heterocycles Based on 2-Oxo-1,2,5,6,7,8-Hexahydroquinoline-3-Carbonitrile.  United States: N. p., 2004. 
        Web.  doi:10.1134/1.1828145.

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                    Mazina, O S, Rybakov, V B, Chernyshev, V V, Babaev, E V, & Aslanov, L A. X-ray Mapping in Heterocyclic Design: XIV. Tricyclic Heterocycles Based on 2-Oxo-1,2,5,6,7,8-Hexahydroquinoline-3-Carbonitrile.  United States.  https://doi.org/10.1134/1.1828145

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                    Mazina, O S, Rybakov, V B, Chernyshev, V V, Babaev, E V, and Aslanov, L A. 2004.  
        "X-ray Mapping in Heterocyclic Design: XIV. Tricyclic Heterocycles Based on 2-Oxo-1,2,5,6,7,8-Hexahydroquinoline-3-Carbonitrile".  United States.  https://doi.org/10.1134/1.1828145.

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@article{osti_20666228,

  title        = {X-ray Mapping in Heterocyclic Design: XIV. Tricyclic Heterocycles Based on 2-Oxo-1,2,5,6,7,8-Hexahydroquinoline-3-Carbonitrile},

  author       = {Mazina, O S and Rybakov, V B and Chernyshev, V V and Babaev, E V and Aslanov, L A},

  abstractNote = {The structures of four compounds are studied using single-crystal X-ray diffraction: 1-[2-(4-chlorophenyl)-2-oxoethyl]-2-oxo-1,2,5,6,7,8-hexahydroquinoline -3-carbonitrile [a = 4.908(4) A, b = 11.644(10) A, c = 13.587(2) A, {beta} = 94.31(5) deg., Z = 2, space group P2{sub 1}]; 2-[2-(4-chlorophenyl)-2-oxoethoxy]-5,6,7,8-tetrahydroquinoline -3-carbonitrile [a = 7.6142(8) A, b = 14.778(2) A, c = 14.132(2) A, {beta} = 100.38(1) deg., Z = 4, space group P2{sub 1}/c]; 4-(aminocarbonyl)-2-(chlorophenyl)-6,7,8,9-tetrahydro[1.3]oxazolo[3,2-a] quinolin-3-ium perchlorate [a = 5.589(7) A, b = 24.724(15) A, c = 13.727(5) A, {beta} = 97.66(9) deg., Z = 4, space group P2{sub 1}/n]; and (3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-(4-chlorophenyl) methanone [a = 7.150(2) A, b = 7.4288(10) A, c = 15.314(3) A, {alpha} = 98.030(10) deg., {beta} = 99.21(2) deg., {gamma} = 105.34(2) deg., Z = 2, space group P1-bar]. The structures are solved by direct methods and refined by the full-matrix least-squares procedure in the anisotropic approximation to R = 0.0728, 0.0439, 0.1228, and 0.0541, respectively. The structure of 1-(4-chlorophenyl)-4-piperidin-1-yl-8,9-dihydro-7H-pyrrolo[3.2.1-ij] quinoline-5-carboxamide [a = 23.9895(9) A, b = 5.1557(3) A, c = 17.0959(9) A, {beta} = 106.43 deg., Z = 4, space group P{sub 1}/c] is investigated by X-ray powder diffraction. This structure is solved using the grid search procedure and refined by the Rietveld method to R{sub wp} = 0.0773, R{sub exp} = 0.0540, R{sub p} = 0.0585, R{sub b} = 0.1107, and {chi}{sup 2} = 1.78.},

  doi          = {10.1134/1.1828145},

  url          = {https://www.osti.gov/biblio/20666228},
  journal      = {Crystallography Reports},

  issn         = {1063-7745},

  number       = 6,

  volume       = 49,

  place        = {United States},

  year         = {Mon Nov 01 00:00:00 EST 2004},

  month        = {Mon Nov 01 00:00:00 EST 2004}

}

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