# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-12T04:19:37+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Acta Crystallographica, Section E: Crystallographic Communications') AND volume = 76 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"2022642","4.3556","0.0002","12.8548","0.0004","25.9904","0.0009","90","","90","","90","","1455.21","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-({(<i>E</i>)-2-[(<i>E</i>)-2,6-Dichlorobenzylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol","","- C15 H12 Cl2 N2 O2 -","- C15 H12 Cl2 N2 O2 -","- C60 H48 Cl8 N8 O8 -","4","1","HB7915","Manawar, Rohit B.; Pashavan, Chandankumar T.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structures of two dis-symmetric di-Schiff base compounds: 2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol and 4-bromo-2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)phenol","Acta Crystallographica, Section E: Crystallographic Communications","2020","76","6","862","869","10.1107/S2056989020006416","","","0.71073","MoKα","","0.0576","0.0387","","","0.0902","0.0988","","","","","","1.017","","","","has coordinates,has Fobs","276709","2022-07-06","22:39:05",""
"2022643","16.451","0.0012","4.4314","0.0003","20.0523","0.0015","90","","90","","90","","1461.83","0.18","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","4-Bromo-2-({(<i>E</i>)-2-[(<i>E</i>)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)phenol","","- C14 H9 Br Cl2 N2 O -","- C14 H9 Br Cl2 N2 O -","- C56 H36 Br4 Cl8 N8 O4 -","4","1","HB7915","Manawar, Rohit B.; Pashavan, Chandankumar T.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.","Crystal structures of two dis-symmetric di-Schiff base compounds: 2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol and 4-bromo-2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)phenol","Acta Crystallographica, Section E: Crystallographic Communications","2020","76","6","862","","10.1107/S2056989020006416","","","0.71073","MoKα","","0.0917","0.0378","","","0.0662","0.0824","","","","","","0.995","","","","has coordinates,has Fobs","276710","2022-07-06","22:39:18",""
"2022644","9.3193","0.0005","12.7525","0.0007","15.7294","0.0008","68.712","0.005","74.217","0.005","76.098","0.005","1655.12","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4-[(1<i>E</i>)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]benzene-1,3-diol chloroform hemisolvate","","- C31 H29 Cl3 N4 O4 S4 -","- C31 H29 Cl3 N4 O4 S4 -","- C62 H58 Cl6 N8 O8 S8 -","2","1","HB7919","Khairuanuar, Nadia Liyana; Crouse, Karen A.; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","4-[(1E)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]benzene-1,3-diol chloroform hemisolvate: crystal structure, Hirshfeld surface analysis and computational study","Acta Crystallographica, Section E: Crystallographic Communications","2020","76","7","990","997","10.1107/S2056989020007070","","","1.54178","CuKα","","0.0627","0.0506","","","0.1271","0.1362","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","276712","2022-07-06","22:47:39",""