Structures by: Kapoor K.
Total: 55
(3S,4AR)-8-hydroxy-3-methyl-3,4,4A,5,6, 7-hexahydro-1h-isochromen-1-one
C10H14O3
Journal of natural products (2013) 76, 2 194-199
a=7.9356(4)Å b=7.1221(4)Å c=8.5697(6)Å
α=90.00° β=102.824(6)° γ=90.00°
(1S,3R,5R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one
C9H14O2
Journal of natural products (2013) 76, 2 194-199
a=7.3937(3)Å b=10.5911(5)Å c=10.6467(5)Å
α=90.00° β=90.00° γ=90.00°
C12H16Cl4N2O3Zn2
C12H16Cl4N2O3Zn2
New J. Chem. (2016) 40, 3 2145
a=9.4731(5)Å b=13.5296(8)Å c=29.0220(18)Å
α=90° β=90° γ=90°
C7H9Cl2NOZn
C7H9Cl2NOZn
New J. Chem. (2016) 40, 3 2145
a=10.468(7)Å b=8.1058(6)Å c=10.993(3)Å
α=90° β=97.69(4)° γ=90°
(<i>E</i>)-<i>N</i>'-{7-Methoxyspiro[chromeno[4,3-<i>d</i>]thiazole- 4,1'-cyclohexan]-2-yl}-<i>N</i>,<i>N</i>-dimethylacetimidamide
C20H25N3O2S
Acta Crystallographica Section E (2011) 67, 11 o2855-o2856
a=9.2510(2)Å b=20.0273(4)Å c=10.7301(2)Å
α=90.00° β=90.840(2)° γ=90.00°
Ethyl 2-(quinolin-8-yloxy)acetate monohydrate
C13H13NO3,H2O
Acta Crystallographica Section E (2013) 69, 4 o623
a=6.9562(4)Å b=17.5050(9)Å c=10.5304(6)Å
α=90.00° β=100.124(5)° γ=90.00°
(7-Chloro-2-oxo-2<i>H</i>-chromen-4-yl)methyl piperidine-1-carbodithioate
C16H16ClNO2S2
Acta Crystallographica Section E (2012) 68, 3 o878-o879
a=4.9427(3)Å b=11.5010(6)Å c=14.0006(8)Å
α=90.00° β=90.271(6)° γ=90.00°
4-Methoxy-<i>N</i>-(4-nitrobenzyl)aniline
C14H14N2O3
Acta Crystallographica Section E (2012) 68, 4 o988
a=7.4993(3)Å b=17.1516(7)Å c=10.0048(5)Å
α=90.00° β=96.861(4)° γ=90.00°
4-Bromobenzoic acid--6-(4-bromophenyl)-3-methyl-1,2,4- triazolo[3,4-<i>b</i>][1,3,4]thiadiazole (1/1)
C10H7BrN4S,C7H5BrO2
Acta Crystallographica Section E (2012) 68, 4 o1185-o1186
a=7.7592(3)Å b=8.0634(4)Å c=14.9076(7)Å
α=94.090(4)° β=92.961(3)° γ=99.326(4)°
2-(2-Bromophenyl)acetic acid
C8H7BrO2
Acta Crystallographica Section E (2012) 68, 6 o1704
a=8.9732(5)Å b=5.9114(3)Å c=15.8489(7)Å
α=90.00° β=99.529(5)° γ=90.00°
Diisopropyl 1-(4-methoxyphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4- dihydropyridine-3,5-dicarboxylate
C28H32N2O7
Acta Crystallographica Section E (2011) 67, 11 o2979
a=9.5043(8)Å b=10.7570(7)Å c=15.1279(12)Å
α=90.501(6)° β=105.873(7)° γ=114.601(7)°
(<i>E</i>)-3-(Furan-2-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
C14H12O3
Acta Crystallographica Section E (2011) 67, 12 o3185
a=7.1583(3)Å b=19.1516(8)Å c=8.4293(3)Å
α=90.00° β=94.357(4)° γ=90.00°
Ethyl 3-[(6-chloropyridin-3-yl)methyl]-2-oxoimidazolidine-1-carboxylate
C12H14ClN3O3
Acta Crystallographica Section E (2012) 68, 2 o469
a=13.3926(14)Å b=8.4991(8)Å c=12.3361(12)Å
α=90.00° β=106.538(10)° γ=90.00°
(4-Butoxyphenyl)(1<i>H</i>-pyrrol-2-yl)methanone
C15H17NO2
Acta Crystallographica Section E (2012) 68, 5 o1521
a=9.4779(4)Å b=11.4478(5)Å c=13.1117(7)Å
α=95.155(4)° β=104.118(4)° γ=94.626(3)°
(4-Fluorophenyl)(1<i>H</i>-pyrrol-2-yl)methanone
C11H8FNO
Acta Crystallographica Section E (2012) 68, 7 o2073
a=3.8957(2)Å b=10.7053(5)Å c=11.1421(6)Å
α=99.167(4)° β=95.951(4)° γ=98.699(4)°
Poly[μ~2~-aqua-μ~4~-(2-{3-[(6-chloropyridin-3-yl)methyl]-2-oxoimidazolidin- 1-yl}acetato)-sodium]
C11H13ClN3NaO4
Acta Crystallographica Section E (2012) 68, 7 m891-m892
a=45.655(2)Å b=4.9113(2)Å c=12.5205(7)Å
α=90.00° β=102.184(5)° γ=90.00°
(1<i>Z</i>)-1-[(2<i>E</i>)-3-(4-Bromophenyl)-1-(4-fluorophenyl)prop-2-en-1- ylidene]-2-(2,4-dinitrophenyl)hydrazine
C21H14BrFN4O4
Acta Crystallographica Section E (2012) 68, 7 o2193
a=15.0738(12)Å b=10.6511(5)Å c=14.3353(8)Å
α=90.00° β=116.010(9)° γ=90.00°
9-(4-Hydroxy-3-methoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione
C24H29NO4
Acta Crystallographica Section E (2013) 69, 1 o100
a=10.4828(3)Å b=14.8973(4)Å c=14.2059(3)Å
α=90.00° β=101.609(2)° γ=90.00°
9-(3-Fluorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione
C23H26FNO2
Acta Crystallographica Section E (2013) 69, 1 o101
a=11.0505(3)Å b=12.8264(3)Å c=13.8548(3)Å
α=90.00° β=100.215(2)° γ=90.00°
4-[(<i>E</i>)-(4-Benzyloxybenzylidene)amino]-1,5-dimethyl-2-phenyl- 1<i>H</i>-pyrazol-3(2<i>H</i>)-one
C25H23N3O2
Acta Crystallographica Section E (2013) 69, 1 o115
a=13.0079(5)Å b=9.9079(4)Å c=17.0469(9)Å
α=90.00° β=103.674(4)° γ=90.00°
2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8- hexahydroquinoline-3-carbonitrile
C19H18F3N3O
Acta Crystallographica Section E (2013) 69, 1 o105
a=24.2434(6)Å b=9.6030(2)Å c=15.2426(4)Å
α=90.00° β=93.960(2)° γ=90.00°
1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-iminium chloride
C9H12ClN4,Cl
Acta Crystallographica Section E (2012) 68, 1 o147
a=6.4773(3)Å b=7.3091(3)Å c=12.4758(4)Å
α=88.996(3)° β=77.214(3)° γ=79.925(3)°
Bis(<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>)bis(pyridine-3-carbonitrile- κ<i>N</i>^1^)nickel(II)
C18H18N4NiO2S4
Acta Crystallographica Section E (2012) 68, 1 m58
a=6.7302(2)Å b=18.8959(5)Å c=8.7242(2)Å
α=90.00° β=95.916(2)° γ=90.00°
<i>cis</i>-Bis(4-methylpiperazine-1-carbodithioato- κ^2^<i>S</i>,<i>S</i>)bis(pyridine-κ<i>N</i>)cadmium
C22H32CdN6S4
Acta Crystallographica Section E (2012) 68, 1 m89
a=17.7065(7)Å b=8.7806(6)Å c=20.6171(8)Å
α=90.00° β=122.276(5)° γ=90.00°
Bis(μ-<i>N</i>-benzyl-<i>N</i>-furfuryldithiocarbamato)- 1:2κ^3^<i>S</i>,<i>S</i>:<i>S</i>';2:1κ^3^<i>S</i>,<i>S</i>':<i>S</i>'- bis[(<i>N</i>-benzyl-<i>N</i>-furfuryldithiocarbamato- κ^2^<i>S</i>,<i>S</i>')cadmium]
C52H48Cd2N4O4S8
Acta Crystallographica Section E (2012) 68, 1 m12-m13
a=10.7922(3)Å b=14.7253(6)Å c=16.9352(6)Å
α=90.00° β=97.383(3)° γ=90.00°
(2-Oxo-2<i>H</i>-benzo[<i>h</i>]chromen-4-yl)methyl morpholine-4-carbodithioate
C19H17NO3S2
Acta Crystallographica Section E (2012) 68, 4 o1104-o1105
a=13.0928(4)Å b=11.6978(3)Å c=11.3673(3)Å
α=90.00° β=99.232(3)° γ=90.00°
Ethyl 2-{3-[(6-chloropyridin-3-yl)methyl]-2-(nitroimino)imidazolidin-1-yl}acetate
C13H16ClN5O4
Acta Crystallographica Section E (2012) 68, 4 o987
a=7.8136(2)Å b=19.3483(4)Å c=10.1926(2)Å
α=90.00° β=100.346(2)° γ=90.00°
2-(2-Chlorophenyl)acetic acid
C8H7ClO2
Acta Crystallographica Section E (2012) 68, 6 o1940
a=9.1473(7)Å b=5.8265(3)Å c=15.4299(7)Å
α=90.00° β=101.155(5)° γ=90.00°
1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-one
C9H10ClN3O
Acta Crystallographica Section E (2012) 68, 6 o1939
a=5.9864(3)Å b=7.4724(5)Å c=11.0235(8)Å
α=83.103(6)° β=80.040(5)° γ=80.020(5)°
2-[3,5-Bis(4-methoxyphenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]- 4,6-bis(4-methoxyphenyl)pyrimidine
C35H32N4O4
Acta Crystallographica Section E (2012) 68, 8 o2398
a=21.637(2)Å b=5.9532(4)Å c=24.749(2)Å
α=90.00° β=109.519(10)° γ=90.00°
(2<i>E</i>)-1-(4,4''-Difluoro-5'-methoxy-1,1':3',1''-terphenyl-4'-yl)-3- [4-(methylsulfanyl)phenyl]prop-2-en-1-one
C29H22F2O2S
Acta Crystallographica Section E (2012) 68, 8 o2378
a=6.9341(3)Å b=11.4440(4)Å c=15.4719(5)Å
α=89.611(3)° β=84.738(3)° γ=74.981(3)°
2-[(<i>E</i>)-Methoxyimino]-2-{2-[(2-methylphenoxy)methyl]phenyl}ethanoic acid
C17H17NO4
Acta Crystallographica Section E (2012) 68, 8 o2425
a=7.8993(3)Å b=8.5720(3)Å c=12.6080(5)Å
α=88.013(3)° β=82.270(3)° γ=65.717(4)°
1,2,3,4,5,6-Hexa-<i>O</i>-acetyl-<i>scyllo</i>-inositol
C18H24O12
Acta Crystallographica Section E (2012) 68, 8 o2594
a=12.901(3)Å b=14.013(3)Å c=5.8572(12)Å
α=90.00° β=97.33(2)° γ=90.00°
2-(Methoxyimino)-2-{2-[(2-methylphenoxy)methyl]phenyl}acetohydrazide
C17H19N3O3
Acta Crystallographica Section E (2012) 68, 8 o2426
a=21.4015(6)Å b=20.7277(4)Å c=7.6975(2)Å
α=90.00° β=109.103(3)° γ=90.00°
3-[(2-Chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-one
C8H10ClN3O2S
Acta Crystallographica Section E (2012) 68, 11 o3109
a=4.6141(2)Å b=11.7335(4)Å c=20.1460(8)Å
α=90.00° β=90.00° γ=90.00°
<i>N</i>-[2-({[1-(4-Chlorophenyl)-1<i>H</i>-pyrazol-3-yl]oxy}methyl)phenyl]- <i>N</i>-methoxyhydrazinecarboxamide
C18H18ClN5O3
Acta Crystallographica Section E (2012) 68, 10 o2916
a=7.6830(4)Å b=9.1597(4)Å c=26.1083(12)Å
α=90.00° β=91.683(4)° γ=90.00°
(2<i>E</i>)-3-(Dimethylamino)-1-(4-fluorophenyl)prop-2-en-1-one
C11H12FNO
Acta Crystallographica Section E (2012) 68, 11 o3110
a=13.2832(6)Å b=5.8530(2)Å c=14.2995(8)Å
α=90.00° β=116.086(6)° γ=90.00°
Methyl (2<i>E</i>)-2-cyano-3-(dimethylamino)prop-2-enoate
C7H10N2O2
Acta Crystallographica Section E (2012) 68, 11 o3121
a=7.1102(5)Å b=7.8170(5)Å c=8.2454(6)Å
α=97.270(6)° β=93.431(6)° γ=115.680(7)°
<i>N</i>-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfanyl}-4- methoxyphenyl)-2,4,6-trimethylbenzenesulfonamide
C25H29BrN4O3S2
Acta Crystallographica Section E (2012) 68, 9 o2767
a=9.3334(5)Å b=10.3635(4)Å c=27.8258(11)Å
α=90.00° β=92.924(4)° γ=90.00°
<i>N</i>-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfanyl}- 4-methoxyphenyl)-4-methylbenzenesulfonamide
C23H25BrN4O3S2
Acta Crystallographica Section E (2012) 68, 10 o2831
a=9.8318(3)Å b=10.3822(3)Å c=13.4393(4)Å
α=96.654(3)° β=103.085(3)° γ=107.714(3)°
Ethyl 6-(4-bromophenyl)-4-(4-fluorophenyl)-2-oxocyclohex-3-ene-1-carboxylate
C21H18BrFO3
Acta Crystallographica Section E (2012) 68, 10 o2917-o2918
a=11.8886(5)Å b=13.3481(5)Å c=13.4128(5)Å
α=77.214(3)° β=66.757(4)° γ=87.856(3)°
3-Methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]prop-\ 2-enoic acid
C17H14F3NO4
Acta Crystallographica Section E (2012) 68, 11 o3163
a=7.4701(4)Å b=10.1619(5)Å c=11.8219(5)Å
α=94.721(4)° β=100.079(4)° γ=110.685(5)°
<i>N</i>-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfanyl}-4- methoxyphenyl)benzenesulfonamide
C22H23BrN4O3S2
Acta Crystallographica Section E (2012) 68, 11 o3209-o3210
a=13.6081(6)Å b=14.5662(5)Å c=14.7502(7)Å
α=74.439(4)° β=69.077(4)° γ=62.581(4)°
<i>N</i>-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}-4- methoxyphenyl)-4-chlorobenzenesulfonamide
C21H20BrClN4O4S2
Acta Crystallographica Section E (2012) 68, 9 o2800
a=10.0311(3)Å b=17.3096(6)Å c=13.9223(4)Å
α=90.00° β=91.829(3)° γ=90.00°
<i>N</i>-[2-(5-Bromo-2-morpholin-4-ylpyrimidin-4-ylsulfanyl)-4-methoxyphenyl]- 2,4,6-trimethylbenzenesulfonamide
C24H27BrN4O4S2
Acta Crystallographica Section E (2012) 68, 11 o3061
a=10.2583(4)Å b=17.4727(6)Å c=14.4375(7)Å
α=90.00° β=97.199(4)° γ=90.00°
<i>N</i>'-[(<i>E</i>)-4-Hydroxybenzylidene]-2-(naphthalen-2-yloxy)acetohydrazide
C19H16N2O3
Acta Crystallographica Section E (2012) 68, 10 o2923-o2924
a=17.2908(8)Å b=6.9946(3)Å c=27.1617(11)Å
α=90.00° β=90.00° γ=90.00°
<i>N</i>-(4-Chlorophenyl)-4-methoxybenzamide
C14H12ClNO2
Acta Crystallographica Section E (2012) 68, 11 o3077
a=5.4394(2)Å b=7.7754(3)Å c=14.9262(6)Å
α=78.759(3)° β=80.712(3)° γ=88.821(3)°
2-Methoxyimino-2-{2-[(2-methylphenoxy)methyl]phenyl}ethanol
C17H19NO3
Acta Crystallographica Section E (2012) 68, 9 o2697
a=21.0394(14)Å b=20.4128(10)Å c=7.6711(5)Å
α=90.00° β=105.729(6)° γ=90.00°
5-Benzoyl-4-(4-fluorophenyl)-3,4-dihydropyrimidin-2(1<i>H</i>)-one
C17H13FN2O2
Acta Crystallographica Section E (2013) 69, 2 o196
a=12.7911(5)Å b=8.1862(3)Å c=13.7325(5)Å
α=90.00° β=98.850(4)° γ=90.00°
9-(3,4-Dimethoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
C25H31NO4
Acta Crystallographica Section E (2013) 69, 2 o297-o298
a=14.1607(6)Å b=15.3126(10)Å c=21.1196(14)Å
α=90.00° β=90.00° γ=90.00°
2-[(Dimethylamino)methylidene]propanedinitrile
C6H7N3
Acta Crystallographica Section E (2013) 69, 3 o433
a=4.0368(3)Å b=15.5642(10)Å c=10.8500(7)Å
α=90.00° β=97.488(6)° γ=90.00°
2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4<i>H</i>-chromene-3-carbonitrile
C19H17F3N2O2
Acta Crystallographica Section E (2013) 69, 3 o417-o418
a=23.7543(6)Å b=9.3871(2)Å c=15.8857(4)Å
α=90.00° β=94.704(2)° γ=90.00°
5-Bromo-2-chloropyrimidin-4-amine
C4H3BrClN3
Acta Crystallographica Section E (2013) 69, 4 o583
a=6.02970(10)Å b=8.1542(2)Å c=13.4163(3)Å
α=90.00° β=90.491(2)° γ=90.00°
(<i>R</i>)-2-Cyano-<i>N</i>-(1-phenylethyl)acetamide
C11H12N2O
Acta Crystallographica Section E (2013) 69, 5 o653
a=4.75730(10)Å b=11.1432(3)Å c=19.3311(5)Å
α=90.00° β=90.00° γ=90.00°
<i>N</i>-(2-{[5-Bromo-2-(morpholin-4-yl)pyrimidin-4-yl]sulfanyl}- 4-methoxyphenyl)-4-methylbenzenesulfonamide
C22H23BrN4O4S2
Acta Crystallographica Section E (2012) 68, 8 o2590-o2591
a=10.0321(3)Å b=17.4842(6)Å c=13.9095(4)Å
α=90.00° β=91.699(3)° γ=90.00°