{"doi":"10.1107/s1600536808041238","title":"4-(1,3-Benzothiazol-2-yl)-<i>N</i>-(2-pyridylmethyl)aniline monohydrate","abstract":null,"journal":"Acta Crystallographica Section E Structure Reports Online","year":2009,"id":678965,"datarank":0.10397207708399181,"base_score":0.6931471805599453,"endowment":0.6931471805599453,"self_citation_contribution":0.10397207708399181,"citation_network_contribution":0.0,"self_endowment_contribution":0.10397207708399181,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":1,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":null,"is_data_producer":false,"deposit_databanks":null,"is_oa":false,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":null,"fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1773974,"name":"Qing-Zhi Wang","orcid":null,"position":1,"is_corresponding":false},{"id":1773975,"name":"Lei Teng","orcid":null,"position":2,"is_corresponding":false},{"id":892988,"name":"Yong Zhang","orcid":"0000-0002-0125-231X","position":3,"is_corresponding":false},{"id":1773973,"name":"Zhen-Hong Su","orcid":null,"position":0,"is_corresponding":false}],"reference_count":0,"raw_metadata":{"has_enrichment":true,"resolved":true,"title":"4-(1,3-Benzothiazol-2-yl)-<i>N</i>-(2-pyridylmethyl)aniline monohydrate","abstract":"In the title compound, C(19)H(15)N(3)S·H(2)O, the benzothia-zole ring system forms a dihedral angle of 7.22 (1)° with the benzene ring and the benzene ring forms a dihedral angle of 80.89 (1)° with the pyridine ring. An intra-molecular N-H⋯O inter-action is present. The crystal structure is stablized by inter-molecular O-H⋯N hydrogen bonds, π-π [centroid-centroid distances = 3.782 (1), 3.946 (1) and 3.913 (1) Å] and C-H⋯π inter-actions, forming a three dimensional-network.","is_dataset_classified":null,"base_score":0.6931471805599453,"endowment":0.6931471805599453,"datacite_reuse_total":0,"file_count":0,"downloads":0,"views":0,"has_version_chain":false,"is_dataset":false,"is_oa":false,"pmid":"21581724","pmcid":null,"openalex_id":"https://openalex.org/W2337476911","authors":[],"funders":[],"total_grants":0,"fwci":0.1704,"citation_percentile":0.56160793,"influential_citations":0,"citation_trend":[],"oa_status":"gold","license":"cc-by","oa_locations":[{"url":"https://journals.iucr.org/e/issues/2009/01/00/lh2740/lh2740.pdf","host_type":"journal"},{"url":"https://journals.iucr.org/e/issues/2009/01/00/lh2740/lh2740.pdf","host_type":"publisher"},{"url":"http://journals.iucr.org/e/issues/2009/01/00/lh2740/lh2740.pdf","host_type":"publisher"},{"url":"https://doi.org/10.1107/s1600536808041238","host_type":"journal"},{"url":"https://pubmed.ncbi.nlm.nih.gov/21581724","host_type":"repository"},{"url":"https://www.ncbi.nlm.nih.gov/pmc/articles/2967994","host_type":"repository"},{"url":"https://doaj.org/article/17de0651d03243c2bc950461b1035f6a","host_type":"repository"},{"url":"http://doi.org/10.1107/S1600536808041238","host_type":"repository"}],"fields_of_study":["Synthesis and biological activity","Crystal structures of chemical compounds","Synthesis and Characterization of Heterocyclic Compounds"],"mesh_terms":[],"keywords":["Dihedral angle","Ring (chemistry)","Benzene","Hydrogen bond","Aniline","Pyridine","Chemistry","Crystallography","Crystal (programming language)","Crystal structure","Bioinformatics","Medicinal chemistry","Molecule","Organic chemistry","Computer science"],"sdg_mappings":[{"sdg_number":0,"sdg_label":"Clean water and sanitation"}],"linked_datasets":[],"clinical_trials":[],"software_tools":[],"database_accessions":[],"source":"live","citation_network_status":"fetched"},"created_at":"2026-08-17T11:55:19.197707Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}