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2Â¥2014-03-27 10:28:56
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data_global #============================================================= _audit_creation_date '19 June 2009' _audit_creation_method 'SHELXL-97' _audit_update_record ? #============================================================== # 1. SUBMISSION DETAILS _publ_contact_author_name 'Dr. xx Zeng' _publ_contact_author_address ; College of Pharmacy xx Medical University xx, xx 341000 People^'^s Republic of China ; _publ_contact_author_phone '86 xxx xx60226 ' _publ_contact_author_fax '86 xx xx45973 ' _publ_contact_author_email xx@yahoo.cn _publ_requested_journal 'Acta Crystallographica E' _publ_requested_category FO _publ_requested_coeditor_name ? _publ_contact_letter ; 19 June 2009 Please consider this CIF submission for publication in Acta Crystallographica Section E. All authors have seen and approved this submission. The CIF has passed the Chester CHECKCIF routines and gives a satisfactory PRINTCIF file. xx Zeng ; #===================================================================== # 2. PROCESSING SUMMARY (IUCr Office Use Only) _journal_date_recd_electronic ? _journal_date_to_coeditor ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_date_printers_first ? _journal_date_printers_final ? _journal_date_proofs_out ? _journal_date_proofs_in ? _journal_coeditor_name ? _journal_coeditor_code ? _journal_paper_category ? _journal_coeditor_notes ; ? ; _journal_techeditor_code ? _iucr_compatibility_tag ? _journal_techeditor_notes ; ? ; _journal_coden_ASTM ? _journal_name_full ? _journal_year ? _journal_volume ? _journal_issue ? _journal_page_first ? _journal_page_last ? _journal_suppl_publ_number ? _journal_suppl_publ_pages ? #===================================================================== # 3. TITLE AND AUTHOR LIST _publ_section_title ; xxx4-(quinolin-8-yloxy) butanehydrazide monohydrate ; loop_ _publ_author_name _publ_author_footnote _publ_author_address 'Jian xx' ? ; College of Pharmacy xx Medical University xx, Jiangxi 341000 People^'^s Republic of China ; 'xx XiaHou' ? ; College of Pharmacy xx Medical University xx, Jiangxi 341000 People^'^s Republic of China ; 'xxx Zhang' ? ; College of Pharmacy xxx Medical University xxx, Jiangxi 341000 People^'^s Republic of China ; 'xxx Zeng' ? ; College of Pharmacy xxx Medical University xxx, Jiangxi 341000 People^'^s Republic of China ; #====================================================================== # 4. TEXT _publ_section_abstract ; The crystal of the title Schiff base compound, C~20~H~18~ClN~3~O~3~.H~2~O, was twinned by a 2-fold rotation about (100). The asymmetric unit contains two crystallographically independent molecules with similar conformations with respect to its bond sequence, and two water molecules. The C\\db N-N angle of 115.7(6) and 116.2(6) \% are significantly smaller than the ideal value of 120 \% expected for sp^2^-hybridized N atoms and the dihedral angles between the benzene ring and quinoline ring system in the two molecules are 52.5(7) and 53.9(7) \%. The organic molecules aggregate via C-Cl...\p and \p...\p interactions [centroid-centroid distances in the range of 3.696(5)-3.892(5) \%A] as parallel sheets array, and these parallel sheets are further linked by uncoordinated water molecules of N-H...O and O-H...O hydrogen bonds and weak C-H...O interactions into a supramolecular two dimensional network. ; _publ_section_related_literature ; For general background, see: Cai <i>et al.</i> (2003); Chen <i>et al.</i> (2005); Park <i>et al.</i> (2006); Karmakar <i>et al.</i> (2007); Muraoka et al., (1998); Pallavicini et al., (2007). For related structures, see: Xu et al., (2002); Zhang et al., (2005); Wen et al., (2005); Wei et al., (2004); Zheng, Li et al., (2008); Zheng, Wu, Lu et al., (2006); Zheng, (2006); Zheng, Wu, Li et al., (2007); Xie et al., (2008); Chen et al., (2009). For bond lengths, see: Allen et al., (1987). For hydrogen-bond motifs, see: Bernstein et al. (1995). ; |
3Â¥2014-03-27 16:23:06
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5Â¥2014-03-28 07:48:55













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