Crystallographic Combinations: Understanding Polymorphism and Approximate Symmetry in <i>N</i>-(1,3-Thiazol-2-yl)benzamide
A new polymorph of <i>N</i>-(1,3-thiazol-2-yl)benzamide crystallises in the monoclinic space group <i>Pc</i> with four crystallographically independent molecules (Z′ = 4) in the asymmetric unit. Where the previously reported polymorphs exhibit two distinct hydrogen-bonded dim...
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MDPI AG
2025-07-01
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| author | Johannes C. Voigt Michael J. Hall Paul G. Waddell |
| author_facet | Johannes C. Voigt Michael J. Hall Paul G. Waddell |
| author_sort | Johannes C. Voigt |
| collection | DOAJ |
| description | A new polymorph of <i>N</i>-(1,3-thiazol-2-yl)benzamide crystallises in the monoclinic space group <i>Pc</i> with four crystallographically independent molecules (Z′ = 4) in the asymmetric unit. Where the previously reported polymorphs exhibit two distinct hydrogen-bonded dimer geometries exclusively, the asymmetric unit of the new polymorph comprises both. Approximate symmetry was observed to relate the molecules of these dimers. These approximate symmetry elements combine to form a structure with distorted <i>P</i>2<sub>1</sub>/<i>c</i> space group symmetry, rationalising the unexpectedly high number of crystallographically independent molecules. |
| format | Article |
| id | doaj-art-cfeff414b8ac468298243059cdad4269 |
| institution | DOAJ |
| issn | 2073-4352 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | MDPI AG |
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| series | Crystals |
| spelling | doaj-art-cfeff414b8ac468298243059cdad42692025-08-20T03:07:57ZengMDPI AGCrystals2073-43522025-07-0115765710.3390/cryst15070657Crystallographic Combinations: Understanding Polymorphism and Approximate Symmetry in <i>N</i>-(1,3-Thiazol-2-yl)benzamideJohannes C. Voigt0Michael J. Hall1Paul G. Waddell2Institute of Organic Chemistry, Justus Liebig University Giessen, Heinrich-Buff-Ring 17, 35392 Giessen, GermanySchool of Natural and Environmental Sciences, Bedson Building, Newcastle University, Newcastle upon Tyne NE1 7RU, UKSchool of Natural and Environmental Sciences, Bedson Building, Newcastle University, Newcastle upon Tyne NE1 7RU, UKA new polymorph of <i>N</i>-(1,3-thiazol-2-yl)benzamide crystallises in the monoclinic space group <i>Pc</i> with four crystallographically independent molecules (Z′ = 4) in the asymmetric unit. Where the previously reported polymorphs exhibit two distinct hydrogen-bonded dimer geometries exclusively, the asymmetric unit of the new polymorph comprises both. Approximate symmetry was observed to relate the molecules of these dimers. These approximate symmetry elements combine to form a structure with distorted <i>P</i>2<sub>1</sub>/<i>c</i> space group symmetry, rationalising the unexpectedly high number of crystallographically independent molecules.https://www.mdpi.com/2073-4352/15/7/657polymorphismapproximate symmetryZ-primehydrogen bonding |
| spellingShingle | Johannes C. Voigt Michael J. Hall Paul G. Waddell Crystallographic Combinations: Understanding Polymorphism and Approximate Symmetry in <i>N</i>-(1,3-Thiazol-2-yl)benzamide Crystals polymorphism approximate symmetry Z-prime hydrogen bonding |
| title | Crystallographic Combinations: Understanding Polymorphism and Approximate Symmetry in <i>N</i>-(1,3-Thiazol-2-yl)benzamide |
| title_full | Crystallographic Combinations: Understanding Polymorphism and Approximate Symmetry in <i>N</i>-(1,3-Thiazol-2-yl)benzamide |
| title_fullStr | Crystallographic Combinations: Understanding Polymorphism and Approximate Symmetry in <i>N</i>-(1,3-Thiazol-2-yl)benzamide |
| title_full_unstemmed | Crystallographic Combinations: Understanding Polymorphism and Approximate Symmetry in <i>N</i>-(1,3-Thiazol-2-yl)benzamide |
| title_short | Crystallographic Combinations: Understanding Polymorphism and Approximate Symmetry in <i>N</i>-(1,3-Thiazol-2-yl)benzamide |
| title_sort | crystallographic combinations understanding polymorphism and approximate symmetry in i n i 1 3 thiazol 2 yl benzamide |
| topic | polymorphism approximate symmetry Z-prime hydrogen bonding |
| url | https://www.mdpi.com/2073-4352/15/7/657 |
| work_keys_str_mv | AT johannescvoigt crystallographiccombinationsunderstandingpolymorphismandapproximatesymmetryinini13thiazol2ylbenzamide AT michaeljhall crystallographiccombinationsunderstandingpolymorphismandapproximatesymmetryinini13thiazol2ylbenzamide AT paulgwaddell crystallographiccombinationsunderstandingpolymorphismandapproximatesymmetryinini13thiazol2ylbenzamide |