Hirshfeld surface analysis of diclofenac acid

GÜNEŞDOĞDU SAĞDINÇ S., baylan d.

AIP Conference Proceedings, cilt.2178, 2019 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 2178
  • Basım Tarihi: 2019
  • Doi Numarası: 10.1063/1.5135427
  • Dergi Adı: AIP Conference Proceedings
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Aerospace Database, Artic & Antarctic Regions, Communication Abstracts, INSPEC, Metadex, Public Affairs Index, zbMATH, Civil Engineering Abstracts
  • Kocaeli Üniversitesi Adresli: Evet

Özet

Diclofenac acid or 2-[(2,6-dichloro-phenyl)-amino]-phenylacetic acid is an excellent nonsteroidal anti-inflammatory drug (NSAID) used in the treatment of inflammatory and painful diseases of rheumatic and non-rheumatic origin. The title compound crystallizes in monoclinic crystal system with P2(1)/c space group and Z=8. In diclofenac acid, the molecule form centrosymmetric linked by hydrogen bonds between the carboxcylic O atoms. Hirshfeld surfaces and two-dimensional fingerprint plots are used to explain molecular crystal structures and analyze intermolecular interactions. In this study, the nature of the interactions and their quantitative contributions towards the crystal packing of diclofenac acid are investigated with 3-D Hirshfeld surface analysis and 2-D fingerprint analysis.