The crystal structure of 9-methyl-3-oxa-9-azatricyclo[3.3.1.0 2,4 ]nonan-7-yl 2-(4-bromobenzyl)-3-chloro-2-fluoropropanoate, C 18 H 20 BrClFNO 3

Q: What does this research mean for the field?

The compound C18H20BrClFNO3 crystallizes in the monoclinic P21/c space group with unit cell parameters a = 16.5360 Å, b = 11.1037 Å, c = 10.0413 Å, and β = 91.124°. Novelty: ClaimNovelty.INCREMENTAL. Consensus alignment: ConsensusAlignment.NEUTRAL.

Yunkai Li; Le Wang

doi:10.1515/ncrs-2026-0352

September 8, 2026Zeitschrift für Kristallographie - New Crystal StructuresOpen Access

The crystal structure of 9-methyl-3-oxa-9-azatricyclo[3.3.1.0 2,4 ]nonan-7-yl 2-(4-bromobenzyl)-3-chloro-2-fluoropropanoate, C 18 H 20 BrClFNO 3

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Key Points

To determine and report the three-dimensional crystal structure of 9-methyl-3-oxa-9-azatricyclo[3.3.1.0 2,4 ]nonan-7-yl 2-(4-bromobenzyl)-3-chloro-2-fluoropropanoate (C18H20BrClFNO3).
Carried out single-crystal X-ray diffraction measurements at 293 K on a crystalline sample of C18H20BrClFNO3.
Solved and refined the crystal structure to determine space group symmetry, unit cell dimensions, and reliability factors.
The compound crystallizes in the monoclinic space group P21/c (no. 14) with cell parameters a = 16.5360(4) Å, b = 11.1037(3) Å, c = 10.0413(3) Å, β = 91.124(2)°, and unit cell volume V = 1843.34(9) Å³.
The crystal lattice contains four formula units per unit cell (Z = 4), achieving refinement parameters of Rgt(F) = 0.0523 and wRref(F²) = 0.1572 at 293 K.

Abstract

C 18 H 20 BrClFNO 3 , monoclinic, P 2 1 / c (no. 14), a = 16.5360(4) Å, b = 11.1037(3) Å, c = 10.0413(3) Å, β = 91.124(2)°, V = 1843.34(9) Å 3 , Z = 4, R gt ( F ) = 0.0523, wR ref ( F 2 ) = 0.1572, T = 293.

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Li et al. (2026) studied this question.

synapsesocial.com/papers/6aa27a8e58559d80afc732ce https://doi.org/10.1515/ncrs-2026-0352

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The crystal structure of 9-methyl-3-oxa-9-azatricyclo[3.3.1.0 2,4 ]nonan-7-yl 2-(4-bromobenzyl)-3-chloro-2-fluoropropanoate, C 18 H 20 BrClFNO 3

Key Points

Abstract

Discussion

Cite This Study

The crystal structure of 9-methyl-3-oxa-9-azatricyclo[3.3.1.0 2,4 ]nonan-7-yl 2-(4-bromobenzyl)-3-chloro-2-fluoropropanoate, C 18 H 20 BrClFNO 3

Key Points

Abstract

Discussion

Cite This Study

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