What does this research mean for the field?

The compound ethyl 4-(4-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate crystallizes in the monoclinic P2_1/n space group with defined unit cell parameters. Novelty: ClaimNovelty.INCREMENTAL. Consensus alignment: ConsensusAlignment.NEUTRAL.

What question did this study set out to answer?

Determine the single-crystal three-dimensional structure and unit cell parameters of ethyl 4-(4-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate.

August 22, 2026Zeitschrift für Kristallographie - New Crystal StructuresOpen Access

The crystal structure of ethyl 4-(4-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C 17 H 18 BrNO 3 S

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Determine the single-crystal three-dimensional structure and unit cell parameters of ethyl 4-(4-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate.
Collected single-crystal X-ray diffraction data at a temperature of 296(2) K.
Solved and refined the structure within the monoclinic space group P2₁/n (number 14).
Determined unit cell dimensions: a = 14.156(5) Å, b = 7.345(3) Å, c = 16.292(6) Å, β = 97.087(7)°, and unit cell volume V = 1680.9(10) Å³.
Yielded refinement reliability factors of Rgt(F) = 0.0557 and wRref(F²) = 0.1451 with Z = 4 formula units per unit cell.

Implication

Crystallographic analysis reveals the monoclinic unit cell parameters of a bromothiophene hexahydroquinoline compound, establishing its solid-state molecular geometry and atomic arrangement.

Abstract

C 17 H 18 BrNO 3 S, P 2 1 / n (no. 14), a = 14.156(5) Å, b = 7.345(3) Å, c = 16.292(6) Å, β = 97.087(7)°, V = 1680.9(10) Å 3 , Z = 4, R gt ( F ) = 0.0557, wR ref ( F 2 ) = 0.1451, T = 296(2) K.

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Cite This Study

Wang et al. (2026) studied this question.

synapsesocial.com/papers/6a895ec3ca7ade938187cdee https://doi.org/10.1515/ncrs-2026-0327

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Implication

Crystallographic analysis reveals the monoclinic unit cell parameters of a bromothiophene hexahydroquinoline compound, establishing its solid-state molecular geometry and atomic arrangement.

Abstract

C 17 H 18 BrNO 3 S, P 2 1 / n (no. 14), a = 14.156(5) Å, b = 7.345(3) Å, c = 16.292(6) Å, β = 97.087(7)°, V = 1680.9(10) Å 3 , Z = 4, R gt ( F ) = 0.0557, wR ref ( F 2 ) = 0.1451, T = 296(2) K.

The crystal structure of ethyl 4-(4-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C 17 H 18 BrNO 3 S

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Implication

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Cite This Study

The crystal structure of ethyl 4-(4-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C 17 H 18 BrNO 3 S

Key Points

Implication

Abstract

Discussion

Cite This Study

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