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Crystal structure and Hirshfeld surface analysis of 2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide

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dc.contributor.authorAydin, Abdullah
dc.contributor.authorCelikesir, Sevim Turktekin
dc.contributor.authorAkkurt, Mehmet
dc.contributor.authorSaylam, Merve
dc.contributor.authorPabuccuoglu, Varol
dc.date.accessioned2026-01-04T13:27:02Z
dc.date.issued2019-09-27
dc.description.abstractIn the title compound, C16H14N2O3S, the 1,3-benzoxazole ring system is essentially planar (r.m.s deviation = 0.004 Å) and makes a dihedral angle of 66.16 (17)° with the benzene ring of the methoxyphenyl group. Two intramolecular N—H...O and N—H...N hydrogen bonds occur, forming S(5) and S(7) ring motifs, respectively. In the crystal, pairs of C—H...O hydrogen bonds link the molecules into inversion dimers with R 2 2(14) ring motifs, stacked along the b-axis direction. The inversion dimers are linked by C—H...π and π–π-stacking interactions [centroid-to-centroid distances = 3.631 (2) and 3.631 (2) Å], forming a three-dimensional network. Two-dimensional fingerprint plots associated with the Hirshfeld surface show that the largest contributions to the crystal packing come from H...H (39.3%), C...H/H...C (18.0%), O...H/H...O (15.6) and S...H/H...S (10.2%) interactions.
dc.description.urihttps://doi.org/10.1107/s2056989019012908
dc.description.urihttps://journals.iucr.org/e/issues/2019/10/00/rz5264/rz5264.pdf
dc.description.urihttps://pubmed.ncbi.nlm.nih.gov/31636988
dc.description.urihttp://dx.doi.org/10.1107/S2056989019012908
dc.description.urihttps://doaj.org/article/d4c4df800fb3498299139d77363854ac
dc.description.urihttps://dx.doi.org/10.1107/s2056989019012908
dc.description.urihttps://doi.org/10.1107/S2056989019012908
dc.description.urihttps://hdl.handle.net/11454/63385
dc.description.urihttps://avesis.erciyes.edu.tr/publication/details/1598e38a-acd7-4910-ad43-39b97651fcfa/oai
dc.identifier.doi10.1107/s2056989019012908
dc.identifier.eissn2056-9890
dc.identifier.endpage1535
dc.identifier.openairedoi_dedup___::19bf42300fc9ca1ba41b4144a1276ac5
dc.identifier.orcid0000-0003-2805-9314
dc.identifier.orcid0000-0003-2421-0929
dc.identifier.orcid0000-0002-7602-4565
dc.identifier.pubmed31636988
dc.identifier.scopus2-s2.0-85073053164
dc.identifier.startpage1531
dc.identifier.urihttps://hdl.handle.net/20.500.12597/37500
dc.identifier.volume75
dc.identifier.wos000488986200024
dc.publisherInternational Union of Crystallography (IUCr)
dc.relation.ispartofActa Crystallographica Section E Crystallographic Communications
dc.rightsOPEN
dc.subjectcrystal structure
dc.subjectdimers
dc.subjectCrystallography
dc.subjectQD901-999
dc.subjectHirshfeld surface analysis
dc.subjecthydrogen bonding
dc.subject,3-benzoxazole ring system
dc.subjectResearch Communications
dc.subject.sdg3. Good health
dc.titleCrystal structure and Hirshfeld surface analysis of 2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
dc.typeArticle
dspace.entity.typePublication
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