Details
| Original language | English |
|---|---|
| Pages (from-to) | 435-438 |
| Number of pages | 4 |
| Journal | Acta Crystallographica Section E: Crystallographic Communications |
| Volume | 80 |
| Issue number | Pt 4 |
| Publication status | Published - Apr 2024 |
Abstract
The title compound, C22H18N2O12, was obtained as a by-product during the planned synthesis of 1,2-bis(2-nitro-4,5-dimethyl phthalate)ethane by oxidative dimerization starting from dimethyl-4-methyl-5-nitro phthalate. To identify this compound unambiguously, a single-crystal structure analysis was performed. The asymmetric unit consists of half a molecule that is located at a centre of inversion. As a result of symmetry restrictions, the molecule shows an E configuration around the double bond. Both phenyl rings are coplanar, whereas the nitro and the two methyl ester groups are rotated out of the ring plane by 32.6 (1), 56.5 (2) and 49.5 (2), respectively. In the crystal, molecules are connected into chains extending parallel to the a axis by pairs of C—H O hydrogen bonds that are connected into a tri-periodic network by additional C—H O hydrogen-bonding interactions.
Keywords
- crystal structure, diazocine, stilbene derivative, synthesis
ASJC Scopus subject areas
- Chemistry(all)
- Materials Science(all)
- Physics and Astronomy(all)
- Condensed Matter Physics
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In: Acta Crystallographica Section E: Crystallographic Communications, Vol. 80, No. Pt 4, 04.2024, p. 435-438.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Synthesis and crystal structure of tetramethyl (E)-4,40-(ethene-1,2-diyl)bis(5-nitrobenzene-1,2-dicarboxylate)
AU - Businski, Artjom
AU - Ta, Thuy C.
AU - Gindullis, Niklas
AU - Näther, Christian
AU - Herges, Rainer
N1 - Funding Information: This work was supported by the State of Schleswig-Holstein.
PY - 2024/4
Y1 - 2024/4
N2 - The title compound, C22H18N2O12, was obtained as a by-product during the planned synthesis of 1,2-bis(2-nitro-4,5-dimethyl phthalate)ethane by oxidative dimerization starting from dimethyl-4-methyl-5-nitro phthalate. To identify this compound unambiguously, a single-crystal structure analysis was performed. The asymmetric unit consists of half a molecule that is located at a centre of inversion. As a result of symmetry restrictions, the molecule shows an E configuration around the double bond. Both phenyl rings are coplanar, whereas the nitro and the two methyl ester groups are rotated out of the ring plane by 32.6 (1), 56.5 (2) and 49.5 (2), respectively. In the crystal, molecules are connected into chains extending parallel to the a axis by pairs of C—H O hydrogen bonds that are connected into a tri-periodic network by additional C—H O hydrogen-bonding interactions.
AB - The title compound, C22H18N2O12, was obtained as a by-product during the planned synthesis of 1,2-bis(2-nitro-4,5-dimethyl phthalate)ethane by oxidative dimerization starting from dimethyl-4-methyl-5-nitro phthalate. To identify this compound unambiguously, a single-crystal structure analysis was performed. The asymmetric unit consists of half a molecule that is located at a centre of inversion. As a result of symmetry restrictions, the molecule shows an E configuration around the double bond. Both phenyl rings are coplanar, whereas the nitro and the two methyl ester groups are rotated out of the ring plane by 32.6 (1), 56.5 (2) and 49.5 (2), respectively. In the crystal, molecules are connected into chains extending parallel to the a axis by pairs of C—H O hydrogen bonds that are connected into a tri-periodic network by additional C—H O hydrogen-bonding interactions.
KW - crystal structure
KW - diazocine
KW - stilbene derivative
KW - synthesis
UR - http://www.scopus.com/inward/record.url?scp=85189703238&partnerID=8YFLogxK
U2 - 10.1107/S2056989024002676
DO - 10.1107/S2056989024002676
M3 - Article
AN - SCOPUS:85189703238
VL - 80
SP - 435
EP - 438
JO - Acta Crystallographica Section E: Crystallographic Communications
JF - Acta Crystallographica Section E: Crystallographic Communications
IS - Pt 4
ER -