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volume 75 issue 5 pages 537-539

Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-methoxycarbonyl-2-(2-methylphenyl) pyrrolidine-3-carbonyl]-5-(2-methylphenyl)-pyrrolidine-2,4-dicarboxylate

Publication typeJournal Article
Publication date2019-04-02
scimago Q4
wos Q4
SJR0.197
CiteScore1.2
Impact factor0.6
ISSN20569890
General Chemistry
Condensed Matter Physics
General Materials Science
Abstract

The title compound, C38H50N2O7, represents a chiral β-proline dipeptide. Corresponding stereogenic centres of constituting pyrrolidine units have opposite absolute configurations. The central amide fragment is planar within 0.1 Å and adopts a Z configuration along the N—CO bond. In the crystal, the hydrogen atoms of the methylene groups form several short intermolecular C—H...O contacts with the carbonyl oxygen atoms of an adjacent molecule. The only active amino hydrogen atom is not involved in hydrogen bonding.

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Ivantcova P. M. et al. Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-methoxycarbonyl-2-(2-methylphenyl) pyrrolidine-3-carbonyl]-5-(2-methylphenyl)-pyrrolidine-2,4-dicarboxylate // Acta Crystallographica Section E: Crystallographic Communications. 2019. Vol. 75. No. 5. pp. 537-539.
GOST all authors (up to 50) Copy
Ivantcova P. M., Sokolov M. N., Kudryavtsev K. V., Churakov A. V. Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-methoxycarbonyl-2-(2-methylphenyl) pyrrolidine-3-carbonyl]-5-(2-methylphenyl)-pyrrolidine-2,4-dicarboxylate // Acta Crystallographica Section E: Crystallographic Communications. 2019. Vol. 75. No. 5. pp. 537-539.
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TY - JOUR
DO - 10.1107/S2056989019004079
UR - https://scripts.iucr.org/cgi-bin/paper?S2056989019004079
TI - Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-methoxycarbonyl-2-(2-methylphenyl) pyrrolidine-3-carbonyl]-5-(2-methylphenyl)-pyrrolidine-2,4-dicarboxylate
T2 - Acta Crystallographica Section E: Crystallographic Communications
AU - Ivantcova, Polina M.
AU - Sokolov, Mikhail N.
AU - Kudryavtsev, Konstantin V.
AU - Churakov, Andrei V.
PY - 2019
DA - 2019/04/02
PB - International Union of Crystallography (IUCr)
SP - 537-539
IS - 5
VL - 75
PMID - 31110780
SN - 2056-9890
ER -
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@article{2019_Ivantcova,
author = {Polina M. Ivantcova and Mikhail N. Sokolov and Konstantin V. Kudryavtsev and Andrei V. Churakov},
title = {Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-methoxycarbonyl-2-(2-methylphenyl) pyrrolidine-3-carbonyl]-5-(2-methylphenyl)-pyrrolidine-2,4-dicarboxylate},
journal = {Acta Crystallographica Section E: Crystallographic Communications},
year = {2019},
volume = {75},
publisher = {International Union of Crystallography (IUCr)},
month = {apr},
url = {https://scripts.iucr.org/cgi-bin/paper?S2056989019004079},
number = {5},
pages = {537--539},
doi = {10.1107/S2056989019004079}
}
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Ivantcova, Polina M., et al. “Crystal structure of 4-[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] 2-methyl (2S,4S,5R)-1-[(2S,3R,5R)-5-methoxycarbonyl-2-(2-methylphenyl) pyrrolidine-3-carbonyl]-5-(2-methylphenyl)-pyrrolidine-2,4-dicarboxylate.” Acta Crystallographica Section E: Crystallographic Communications, vol. 75, no. 5, Apr. 2019, pp. 537-539. https://scripts.iucr.org/cgi-bin/paper?S2056989019004079.