Crystal structure and Hirshfeld surface analysis of ethyl 2′-amino-5-bromo-3′-cyano-6′-methyl-2-oxospiro[indoline-3,4′-pyran]-5′-carboxylate
The crystal used for structure determination contained, along with the title compound, C17H14BrN3O4, an admixture [0.0324 (11)] of its 7-bromo isomer. The 2,3-dihydro-1H-indole ring system is nearly planar, while the conformation of the 4H-pyran ring is close to a flattened boat. The mean planes of...
Main Authors: | , , , , , , |
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Format: | Article |
Language: | English |
Published: |
International Union of Crystallography
2022-09-01
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Series: | Acta Crystallographica Section E: Crystallographic Communications |
Subjects: | |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989022008271 |
Summary: | The crystal used for structure determination contained, along with the title compound, C17H14BrN3O4, an admixture [0.0324 (11)] of its 7-bromo isomer. The 2,3-dihydro-1H-indole ring system is nearly planar, while the conformation of the 4H-pyran ring is close to a flattened boat. The mean planes of these fragments form a dihedral angle of 86.67 (9)°. The carboxylate group lies near the plane of 4H-pyran, its orientation is stabilized by an intramolecular C—H...O contact. In the crystal, the molecules are connected into layers by N—H...N and N—H...O hydrogen bonds. The most important contributions to the crystal packing are from H...H (33.1%), O...H/H...O (16.3%), N...H/H...N (12.1%), Br...H/H...Br (11.5%) and C...H/H...C (10.6%) interactions. |
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ISSN: | 2056-9890 |