{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["65(Pt 7)"],"submitter":["Fun HK"],"pubmed_abstract":["In the title compound, C(9)H(10)ClN(3)O, the semicarbazone group is approximately planar, with an r.m.s. deviation from the mean plane of 0.054 (1) Å. The dihedral angle between the least-squares planes through the semicarbazone group and the benzene ring is 30.46 (5)°. In the solid state, mol-ecules are linked via inter-molecular N-H⋯O and N-H⋯N hydrogen bonds, generating R(2) (2)(9) ring motifs which, together with R(2) (2)(8) ring motifs formed by pairs of inter-molecular N-H⋯O hydrogen bonds, lead to the formation of a seldom-observed mol-ecular trimer. Furthermore, N-H⋯O hydrogen bonds form R(2) (1)(7) ring motifs with C-H⋯O hydrogen bonds, further consolidating the crystal structure. Mol-ecules are linked by these inter-molecular inter-actions, forming two-dimensional networks parallel to (100)."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1634-5"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2969321"],"repository":["biostudies-literature"],"pubmed_title":["(E)-1-(4-Chloro-phen-yl)ethanone semi-carbazone."],"pmcid":["PMC2969321"],"pubmed_authors":["Padaki M","Fun HK","Isloor AM","Quah CK","Malladi S"],"additional_accession":[]},"is_claimable":false,"name":"(E)-1-(4-Chloro-phen-yl)ethanone semi-carbazone.","description":"In the title compound, C(9)H(10)ClN(3)O, the semicarbazone group is approximately planar, with an r.m.s. deviation from the mean plane of 0.054 (1) Å. The dihedral angle between the least-squares planes through the semicarbazone group and the benzene ring is 30.46 (5)°. In the solid state, mol-ecules are linked via inter-molecular N-H⋯O and N-H⋯N hydrogen bonds, generating R(2) (2)(9) ring motifs which, together with R(2) (2)(8) ring motifs formed by pairs of inter-molecular N-H⋯O hydrogen bonds, lead to the formation of a seldom-observed mol-ecular trimer. Furthermore, N-H⋯O hydrogen bonds form R(2) (1)(7) ring motifs with C-H⋯O hydrogen bonds, further consolidating the crystal structure. Mol-ecules are linked by these inter-molecular inter-actions, forming two-dimensional networks parallel to (100).","dates":{"release":"2009-01-01T00:00:00Z","publication":"2009 Jun","modification":"2025-04-05T15:53:03.485Z","creation":"2019-03-27T00:00:09Z"},"accession":"S-EPMC2969321","cross_references":{"pubmed":["21582900"],"doi":["10.1107/S160053680902279X"]}}