{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["64(Pt 9)"],"submitter":["Du HT"],"pubmed_abstract":["In the mol-ecule of the title compound, C(30)H(22)N(4)O(2)S(2), the central benzene ring is oriented at dihedral angles of 63.83 (3) and 1.37 (3)° with respect to the naphthalene ring systems, while the two naphthalene ring systems are oriented at a dihedral angle of 62.78 (3)°. Intra-molecular N-H⋯O and N-H⋯N hydrogen bonds result in the formation of one five- and two six-membered rings. The twisting modes of the two side arms are different [C-N-C-O and C-N-C-N torsion angles = 11.1 (4) and 1.5 (3)°, respectively, in one arm, and -2.2 (4) and 0.8 (3)° in the other arm]. In the crystal structure, inter-molecular N-H⋯S hydrogen bonds link the mol-ecules into centrosymmetric dimers. There is a C-H⋯π contact between the naphthalene rings and π-π contacts between the naphthalene rings and the naphthalene and benzene rings [centroid-centroid distances = 3.651 (1), 3.828 (1), 3.811 (2) and 3.786 (1) Å]."],"journal":["Acta crystallographica. Section E, Structure reports online"],"pagination":["o1780"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC2960656"],"repository":["biostudies-literature"],"pubmed_title":["3,3'-Di-2-naphthoyl-1,1'-(o-phenyl-ene)dithio-urea."],"pmcid":["PMC2960656"],"pubmed_authors":["Du HJ","Du HT","Zhou W"],"additional_accession":[]},"is_claimable":false,"name":"3,3'-Di-2-naphthoyl-1,1'-(o-phenyl-ene)dithio-urea.","description":"In the mol-ecule of the title compound, C(30)H(22)N(4)O(2)S(2), the central benzene ring is oriented at dihedral angles of 63.83 (3) and 1.37 (3)° with respect to the naphthalene ring systems, while the two naphthalene ring systems are oriented at a dihedral angle of 62.78 (3)°. Intra-molecular N-H⋯O and N-H⋯N hydrogen bonds result in the formation of one five- and two six-membered rings. The twisting modes of the two side arms are different [C-N-C-O and C-N-C-N torsion angles = 11.1 (4) and 1.5 (3)°, respectively, in one arm, and -2.2 (4) and 0.8 (3)° in the other arm]. In the crystal structure, inter-molecular N-H⋯S hydrogen bonds link the mol-ecules into centrosymmetric dimers. There is a C-H⋯π contact between the naphthalene rings and π-π contacts between the naphthalene rings and the naphthalene and benzene rings [centroid-centroid distances = 3.651 (1), 3.828 (1), 3.811 (2) and 3.786 (1) Å].","dates":{"release":"2008-01-01T00:00:00Z","publication":"2008 Aug","modification":"2025-05-18T12:55:33.28Z","creation":"2025-05-18T12:55:33.28Z"},"accession":"S-EPMC2960656","cross_references":{"pubmed":["21201760"],"doi":["10.1107/S1600536808026299"]}}