3-(2,5-Di-methyl-phen-yl)-8-meth-oxy-2-oxo-1-aza-spiro-[4.5]dec-3-en-4-yl 3-(2-bromo-4-fluoro-phen-yl)acrylate
In the title compound, C27H27BrFNO4, which is an inhibitor of acetyl-CoA carboxyl-ase, the cyclo-hexane ring displays a chair comformation with the spiro-C and meth-oxy-bearing C atoms deviating by 0.681 (7) and -0.655 (1) Å, resppectively, from the mean plane formed by the other four C atoms of the...
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| Published in | Acta crystallographica. Section E, Structure reports online Vol. 69; no. Pt 7; pp. o1064 - o1065 |
|---|---|
| Main Authors | , , , |
| Format | Journal Article |
| Language | English |
| Published |
United States
International Union of Crystallography
2013
|
| Subjects | |
| Online Access | Get full text |
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| Abstract | In the title compound, C27H27BrFNO4, which is an inhibitor of acetyl-CoA carboxyl-ase, the cyclo-hexane ring displays a chair comformation with the spiro-C and meth-oxy-bearing C atoms deviating by 0.681 (7) and -0.655 (1) Å, resppectively, from the mean plane formed by the other four C atoms of the spiro-C6 ring. The mean planes of the cyclo-hexane and 2-bromo-4-fluoro-phenyl rings are nearly perpendicular to that of the pyrrolidine ring, making dihedral angles 89.75 (6) and 87.60 (9)°, respectively. In the crystal, mol-ecules are linked via pairs of N-H⋯O hydrogen bonds, forming inversion dimers. |
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| AbstractList | In the title compound, C
27
H
27
BrFNO
4
, which is an inhibitor of acetyl-CoA carboxylase, the cyclohexane ring displays a chair comformation with the spiro-C and methoxy-bearing C atoms deviating by 0.681 (7) and −0.655 (1) Å, resppectively, from the mean plane formed by the other four C atoms of the spiro-C
6
ring. The mean planes of the cyclohexane and 2-bromo-4-fluorophenyl rings are nearly perpendicular to that of the pyrrolidine ring, making dihedral angles 89.75 (6) and 87.60 (9)°, respectively. In the crystal, molecules are linked
via
pairs of N—H⋯O hydrogen bonds, forming inversion dimers. In the title compound, C27H27BrFNO4, which is an inhibitor of acetyl-CoA carboxyl-ase, the cyclo-hexane ring displays a chair comformation with the spiro-C and meth-oxy-bearing C atoms deviating by 0.681 (7) and -0.655 (1) Å, resppectively, from the mean plane formed by the other four C atoms of the spiro-C6 ring. The mean planes of the cyclo-hexane and 2-bromo-4-fluoro-phenyl rings are nearly perpendicular to that of the pyrrolidine ring, making dihedral angles 89.75 (6) and 87.60 (9)°, respectively. In the crystal, mol-ecules are linked via pairs of N-H⋯O hydrogen bonds, forming inversion dimers. |
| Author | Zhao, Jin-Hao Xu, Bing-Rong Cheng, Jing-Li He, Xing-Rui |
| Author_xml | – sequence: 1 givenname: Bing-Rong surname: Xu fullname: Xu, Bing-Rong organization: College of Pharmaceutical Science, Zhejiang University of Technology, Hangzhou 310032, People's Republic of China – sequence: 2 givenname: Xing-Rui surname: He fullname: He, Xing-Rui – sequence: 3 givenname: Jing-Li surname: Cheng fullname: Cheng, Jing-Li – sequence: 4 givenname: Jin-Hao surname: Zhao fullname: Zhao, Jin-Hao |
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| References | 18334299 - Bioorg Med Chem. 2008 Apr 15;16(8):4203-21 18156677 - Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22 22531003 - J Agric Food Chem. 2012 May 16;60(19):4779-87 |
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| Snippet | In the title compound, C27H27BrFNO4, which is an inhibitor of acetyl-CoA carboxyl-ase, the cyclo-hexane ring displays a chair comformation with the spiro-C and... In the title compound, C 27 H 27 BrFNO 4 , which is an inhibitor of acetyl-CoA carboxylase, the cyclohexane ring displays a chair comformation with the... |
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| Title | 3-(2,5-Di-methyl-phen-yl)-8-meth-oxy-2-oxo-1-aza-spiro-[4.5]dec-3-en-4-yl 3-(2-bromo-4-fluoro-phen-yl)acrylate |
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