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Notice the empty spaces in the structure. This is one unit cell of a porous metal-organic framework (MOF) material called HKUST-1, named after the Hong Kong University of Science and Technology. HKUST-1, named after the Hong Kong University of Science and Technology, Image generated using CrystalMaker: Posted in Molecular Structures | Tagged anciseptic, MC, Medical, Molecule, phenol | Leave a reply The structure of empty space – HKUST 1 This structure is #2103472 in the crystallography open database, and was found by Allan et al in 2002. We’ve actually chosen to feature a high-pressure polymorph of solid phenol – the molecule still stays the same under 0.16 GPa of pressure (equivalent to the pressure under a stiletto heel being worn by a moderate sized hippo), but the way it packs into a solid does change. Synthesising phenol with formaldehyde, Leo Baekeland, produced a material that could be fused into any shape he chose and began the age of plastics!ĭespite the fact that pure phenol is solid at room temperature the crystal structure wasn’t established until 1987, by a group in Russia. Though it is never used now (phenol will burn the skin, and is toxic to inhale) the procedures of antiseptic surgery that Lister put in place with this small molecule prevented many infections that would have killed before.īut the importance of phenol doesn’t stop there it is an essential component of ‘Bakelite’, the world’s first plastic-like material. In 1865 it was used by Joseph Lister as the first antiseptic. The phenol molecule, or carbolic acid, is a ring of six carbon atoms with a hydroxyl (a pair of oxygen and hydrogen) hanging off it. It’s an incredibly simple molecule, but it has saved many lives and spawned a whole new generation of stuff. An image of a computed electrostatic surface of neutral phenol, showing neutral regions in green, electronegative areas in orange-red, and the electropositive phenolic proton in blue.
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Posted in Molecular Structures | Tagged Drug, Molecule, structure, Turner | Leave a reply A small molecule that has saved a lot of lives – phenol Structural determination allowed comparison with other drugs with similar properties and characterisation by crystallography remains a key part in drug design. Understanding the geometrical structure was important to determine if and how the stereochemistry of the molecule influenced its biological behaviour.
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Soc., 1972, 94, 268-272), when the full range of properties of the drug was coming to light. The structure was determined and published in the Journal of the American Chemical Society in 1972 (A. The core structure of these drug molecules is the three rings that can be seen in the left-hand picture.Ĭrystals of diazepam are held together primarily by weak interactions between adjacent molecules in the absence of any charged groups or strongly polar, complementary functionalities. Diazepam is a member of the benzodiazepine family of psychoactive drugs which interact with the GABA neurotransmitter.
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The structure that leapt to mind today was valium – read into that what you will.ĭiazepam, originally sold under the name valium since 1963 (and still commonly known as this), is a drug used to treat a variety of conditions such as anxiety, panic attacks, muscle spasms and opiate withdrawal amongst others. Inspiration for compounds to include in the Crystallograph圓65 blog can be tricky and, in my experience, tends to reflect my mood when coming up with the next topic.
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Image generated with Crystal Maker software This is a very early determination of a molecular crystal structure, and the work built on information from other experimental methods, including spectroscopy. This arrangement of molecules came from a paper by Jones and Templeton, published in 1958. It would take a later neutron diffraction study to place when the hydrogen positions are in this material. However, as we’ve mentioned on the blog a few times before, finding hydrogen position from x-ray diffraction is extremely challenging as they don’t scatter very well. The image we’ve shown would seem a very over-simplified image of the crystal structure as it is missing the all-important four hydrogen atoms. In pure form, acetic acid is known as ‘glacial’ acetic acid because of the snow-like white crystals it grows. Most vinegars have about 4-5 % acetic acid molecules in the mix. This is the molecule that gives the tang on your tongue when you add vinegar to your chips. Image generated by the VESTA (Visualisation for Electronic and STructual analysis) software