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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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