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Which conformations make stable crystal structures? Mapping crystalline molecular geometries to the conformational energy landscape
Open accessAbstract
Flexible organic molecules often do not adopt their lowest energy conformer in crystal structures. We find that there is a preference for molecules to crystallise with high surface area conformers.
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Citations
Cited by
Static and lattice vibrational energy differences between polymorphs
Nyman, J., & Day, G. M. (2015) · CrystEngComm · doi:10.1039/c5ce00045a · Cited by 438
Self-citationNear-Ideal Xylene Selectivity in Adaptive Molecular Pillar[n]arene Crystals
Jie, K., Liu, M., Zhou, Y., Little, M. A., Pulido, A., Chong, S. Y., Stephenson, A., Hughes, A. R., Sakakibara, F., Ogoshi, T., et al. (2018) · Journal of the American Chemical Society · doi:10.1021/jacs.8b02621 · Cited by 258
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Metadata
- Authors
- Thompson, H. P. G., & Day, G. M.
- Venue
- Chem. Sci.
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2014
- Volume
- 5
- Issue
- 8
- Pages
- 3173-3182
- ISSN
- 2041-6520 (ISSN-L)
- 2041-6539
- OpenAlex
- W2128326201
- Cited by
- 192
- References
- 0
- FWCI
- 11.78
- Type
- journal article
- Language
- en
- Open access
- hybrid
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- CoChat. (2026). Citation check: Which conformations make stable crystal structures? Mapping crystalline molecular geometries to the conformational energy landscape. https://app.cochat.ai/papers/10.1039/c4sc01132e
- The paper
- Thompson, H. P. G., & Day, G. M. (2014). Which conformations make stable crystal structures? Mapping crystalline molecular geometries to the conformational energy landscape. Chem. Sci. https://doi.org/10.1039/c4sc01132e
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
