Structures by: Kirchner M. T.

Total: 49

5-Nitrosalicylic acid

C7H5NO5

Senthil Kumar, V. S.Nangia, AshwiniKirchner, Michael T.Boese, Roland

New Journal of Chemistry (2003) 27, 2 224

a=5.2010(7)Å   b=8.8753(13)Å   c=9.2841(13)Å

α=62.449(2)°   β=75.388(2)°   γ=81.657(3)°

Dioxane solvate of 5-Nitrosalicylic acid

'C9H9NO6'

Senthil Kumar, V. S.Nangia, AshwiniKirchner, Michael T.Boese, Roland

New Journal of Chemistry (2003) 27, 2 224

a=5.3656(11)Å   b=22.995(5)Å   c=7.9984(16)Å

α=90.00°   β=90.79(3)°   γ=90.00°

Cocrystal pentafluorophenol * pentafluoroaniline 6:3

C6H2F5N,2(C6HF5O)

Kirchner, Michael T.Bläser, DieterBoese, RolandDesiraju, Gautam R.

CrystEngComm (2009) 11, 2 229-231

a=21.1790(5)Å   b=17.0734(4)Å   c=16.6258(4)Å

α=90.00°   β=114.6340(10)°   γ=90.00°

C3H4O

C3H4O

Thakur, Tejender S.Kirchner, Michael T.Bläser, DieterBoese, RolandDesiraju, Gautam R.

Physical chemistry chemical physics : PCCP (2011) 13, 31 14076-14091

a=7.134(8)Å   b=9.694(11)Å   c=9.930(10)Å

α=90.00°   β=90.00°   γ=90.00°

N-methylformamide

C2H5NO

Thakur, Tejender S.Kirchner, Michael T.Bläser, DieterBoese, RolandDesiraju, Gautam R.

Physical chemistry chemical physics : PCCP (2011) 13, 31 14076-14091

a=8.7855(6)Å   b=8.5307(6)Å   c=8.6148(7)Å

α=90.00°   β=90.207(4)°   γ=90.00°

Formaldehyde

CH2O

Thakur, Tejender S.Kirchner, Michael T.Bläser, DieterBoese, RolandDesiraju, Gautam R.

Physical chemistry chemical physics : PCCP (2011) 13, 31 14076-14091

a=8.7411(10)Å   b=8.7411(10)Å   c=4.4740(9)Å

α=90.00°   β=90.00°   γ=90.00°

Cocrystal pentafluorophenol * pentafluoroaniline 6:3

C6H2F5N,2(C6HF5O)

Kirchner, Michael T.Bläser, DieterBoese, RolandDesiraju, Gautam R.

CrystEngComm (2009) 11, 2 229-231

a=21.1790(5)Å   b=17.0734(4)Å   c=16.6258(4)Å

α=90.00°   β=114.6340(10)°   γ=90.00°

1.2.3.5-Tetrafluorobenzene

C6H2F4

Thakur, Tejender S.Kirchner, Michael T.Bläser, DieterBoese, RolandDesiraju, Gautam R.

CrystEngComm (2010) 12, 7 2079

a=3.703(4)Å   b=14.572(17)Å   c=10.573(13)Å

α=90.00°   β=96.340(19)°   γ=90.00°

Anisaldehyde

C8H8O2

Kirchner, Michael T.Bläser, DieterBoese, RolandThakur, Tejender S.Desiraju, Gautam R.

Acta Crystallographica Section C (2011) 67, 10 o387-o390

a=4.970(4)Å   b=9.034(9)Å   c=15.544(14)Å

α=90.00°   β=90.00°   γ=90.00°

Salicylylaldehyde

C7H6O2

Kirchner, Michael T.Bläser, DieterBoese, RolandThakur, Tejender S.Desiraju, Gautam R.

Acta Crystallographica Section C (2011) 67, 10 o387-o390

a=6.3945(3)Å   b=13.8939(9)Å   c=6.9172(4)Å

α=90.00°   β=103.262(3)°   γ=90.00°

Cinnamaldehyde

C9H8O

Kirchner, Michael T.Bläser, DieterBoese, RolandThakur, Tejender S.Desiraju, Gautam R.

Acta Crystallographica Section C (2011) 67, 10 o387-o390

a=5.9626(2)Å   b=12.9977(3)Å   c=9.2522(2)Å

α=90.00°   β=94.282(2)°   γ=90.00°

1,3-Difluorobenzene

C6H4F2

Kirchner, Michael T.Bläser, DieterBoese, RolandThakur, Tejender S.Desiraju, Gautam R.

Acta Crystallographica Section E (2009) 65, 11 o2668-o2669

a=24.6618(13)Å   b=12.2849(5)Å   c=7.2336(4)Å

α=90.00°   β=106.842(3)°   γ=90.00°

1,2,3-Trifluorobenzene

C6H3F3

Kirchner, Michael T.Bläser, DieterBoese, RolandThakur, Tejender S.Desiraju, Gautam R.

Acta Crystallographica Section E (2009) 65, 11 o2670

a=7.4238(19)Å   b=11.590(3)Å   c=7.0473(17)Å

α=90.00°   β=112.783(4)°   γ=90.00°

2A3MP

C7H9NO

Archan DeyMichael T. KirchnerVenu R. VangalaGautam R. DesirajuRaju MondalJudith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=21.6090(7)Å   b=7.4822(2)Å   c=8.2703(3)Å

α=90.00°   β=90.00°   γ=90.00°

2A4MP

C7H9NO

Archan DeyMichael T. KirchnerVenu R. VangalaGautam R. DesirajuRaju MondalJudith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=7.5058(15)Å   b=7.7076(15)Å   c=22.691(5)Å

α=90.00°   β=90.00°   γ=90.00°

2A5MP

C7H9NO

Archan DeyMichael T. KirchnerVenu R. VangalaGautam R. DesirajuRaju MondalJudith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=8.7860(5)Å   b=9.9708(5)Å   c=7.8700(4)Å

α=90.00°   β=113.966(2)°   γ=90.00°

3A2MP

C7H9NO

Archan DeyMichael T. KirchnerVenu R. VangalaGautam R. DesirajuRaju MondalJudith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=6.6782(6)Å   b=8.1351(7)Å   c=11.9301(10)Å

α=90.00°   β=101.661(2)°   γ=90.00°

3A5MP

C7H9NO

Archan DeyMichael T. KirchnerVenu R. VangalaGautam R. DesirajuRaju MondalJudith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=6.02390(10)Å   b=15.2605(3)Å   c=7.4566(2)Å

α=90.00°   β=107.5570(10)°   γ=90.00°

5A2MP

C7H9NO

Archan DeyMichael T. KirchnerVenu R. VangalaGautam R. DesirajuRaju MondalJudith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=5.5990(10)Å   b=7.971(2)Å   c=7.700(2)Å

α=90.00°   β=110.020(10)°   γ=90.00°

4A2MP

C7H9NO

Archan DeyMichael T. KirchnerVenu R. VangalaGautam R. DesirajuRaju MondalJudith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=4.48940(10)Å   b=10.4759(3)Å   c=14.3300(4)Å

α=90.00°   β=93.1740(10)°   γ=90.00°

4A3MP

C7H9NO

Archan DeyMichael T. KirchnerVenu R. VangalaGautam R. DesirajuRaju MondalJudith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=4.6823(2)Å   b=11.5155(5)Å   c=12.0314(5)Å

α=90.00°   β=96.884(2)°   γ=90.00°

8A2HNAP

C10H9NO

Archan DeyMichael T. KirchnerVenu R. VangalaGautam R. DesirajuRaju MondalJudith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=12.415(2)Å   b=4.1719(7)Å   c=15.511(3)Å

α=90.00°   β=108.804(3)°   γ=90.00°

Trans-4-Amino-cyclohexanol

C6H13NO

Archan DeyMichael T. KirchnerVenu R. VangalaGautam R. DesirajuRaju MondalJudith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=5.259(2)Å   b=11.954(5)Å   c=11.730(4)Å

α=90.00°   β=95.486(8)°   γ=90.00°

2A6MP

C7H9NO

Archan DeyMichael T. KirchnerVenu R. VangalaGautam R. DesirajuRaju MondalJudith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=8.0069(2)Å   b=8.0094(2)Å   c=20.3862(5)Å

α=83.8860(10)°   β=84.7190(10)°   γ=89.1200(10)°

3A4MP

C7H9NO

Archan DeyMichael T. KirchnerVenu R. VangalaGautam R. DesirajuRaju MondalJudith A. K. Howard

Journal of the American Chemical Society (2005) 127, 10545-10559

a=7.5998(2)Å   b=18.3860(5)Å   c=9.9035(3)Å

α=90.00°   β=110.1720(10)°   γ=90.00°

Methane hydrate

8(CH4),46(H2O)

Michael T. KirchnerRoland BoeseW. Edward BillupsLewis R. Norman

Journal of the American Chemical Society (2004) 126, 9407-9412

a=11.877(3)Å   b=11.877(3)Å   c=11.877(3)Å

α=90.00°   β=90.00°   γ=90.00°

Propane hydrate

(C3H8)8(H2O)136

Michael T. KirchnerRoland BoeseW. Edward BillupsLewis R. Norman

Journal of the American Chemical Society (2004) 126, 9407-9412

a=17.175(3)Å   b=17.175(3)Å   c=17.175(3)Å

α=90.00°   β=90.00°   γ=90.00°

Clathrate hydrate of adamantane and methane

4.5(CH4)(C10H16)34(H2O)

Michael T. KirchnerRoland BoeseW. Edward BillupsLewis R. Norman

Journal of the American Chemical Society (2004) 126, 9407-9412

a=12.3304(17)Å   b=12.3304(17)Å   c=9.9206(16)Å

α=90.00°   β=90.00°   γ=120.00°

Clathrate hydrate of propane, methane and ethanole

8(C3H8)14.9(CH4)136(H2O)

Michael T. KirchnerRoland BoeseW. Edward BillupsLewis R. Norman

Journal of the American Chemical Society (2004) 126, 9407-9412

a=17.1925(10)Å   b=17.1925(10)Å   c=17.1925(10)Å

α=90.00°   β=90.00°   γ=90.00°

Ethine hydrate

1.2(C2H2),6(C2H2),46(H2O)

Michael T. KirchnerRoland BoeseW. Edward BillupsLewis R. Norman

Journal of the American Chemical Society (2004) 126, 9407-9412

a=11.895(3)Å   b=11.895(3)Å   c=11.895(3)Å

α=90.00°   β=90.00°   γ=90.00°

Diphenyl ether

C12H10O

Angshuman R. ChoudhuryKabirul IslamMichael T. KirchnerGoverdhan MehtaTayur N. Guru Row

Journal of the American Chemical Society (2004) 126, 12274-12275

a=9.961(4)Å   b=8.022(3)Å   c=12.274(5)Å

α=90°   β=106.993(6)°   γ=90°

Diphenyl ether

C12H10O

Angshuman R. ChoudhuryKabirul IslamMichael T. KirchnerGoverdhan MehtaTayur N. Guru Row

Journal of the American Chemical Society (2004) 126, 12274-12275

a=5.7405(18)Å   b=7.694(2)Å   c=21.165(6)Å

α=90°   β=90°   γ=90°

Methanol

CH4O

Kirchner, Michael T.Das, DinabandhuBoese, Roland

Crystal Growth & Design (2008) 8, 3 763

a=4.6469(9)Å   b=4.9285(10)Å   c=9.0403(18)Å

α=90.00°   β=90.00°   γ=90.00°

Methanol

CH4O

Kirchner, Michael T.Das, DinabandhuBoese, Roland

Crystal Growth & Design (2008) 8, 3 763

a=6.401(2)Å   b=7.220(3)Å   c=4.6470(10)Å

α=90.00°   β=90.00°   γ=90.00°

Ethine methanol cocrystal

CH4O,C2H2

Kirchner, Michael T.Das, DinabandhuBoese, Roland

Crystal Growth & Design (2008) 8, 3 763

a=4.565(3)Å   b=7.314(5)Å   c=13.165(8)Å

α=90.00°   β=90.00°   γ=90.00°

6-amino-2-(2-chlorophenylsulfonylimino)-1,2-dihydropyridine

C11H10ClN3O2S

Kirchner, Michael T.Reddy, L. SreenivasDesiraju, Gautam R.Jetti, Ram K. R.Boese, Roland

Crystal Growth & Design (2004) 4, 4 701

a=9.232(6)Å   b=8.900(6)Å   c=15.102(9)Å

α=90.00°   β=96.081(11)°   γ=90.00°

6-amino-2-(2-methylphenylsulfonylimino)-1,2-dihydropyridine

C12H13N3O2S

Kirchner, Michael T.Reddy, L. SreenivasDesiraju, Gautam R.Jetti, Ram K. R.Boese, Roland

Crystal Growth & Design (2004) 4, 4 701

a=9.169(2)Å   b=8.867(2)Å   c=15.222(4)Å

α=90.00°   β=96.511(5)°   γ=90.00°

6-amino-2-(3-methylphenylsulfonylimino)-1,2-dihydropyridine

C12H13N3O2S

Kirchner, Michael T.Reddy, L. SreenivasDesiraju, Gautam R.Jetti, Ram K. R.Boese, Roland

Crystal Growth & Design (2004) 4, 4 701

a=12.434(4)Å   b=10.396(4)Å   c=9.113(3)Å

α=90.00°   β=92.247(6)°   γ=90.00°

6-amino-2-(4-fluorophenylsulfonylimino)-1,2-dihydropyridine

C11H10FN3O2S

Kirchner, Michael T.Reddy, L. SreenivasDesiraju, Gautam R.Jetti, Ram K. R.Boese, Roland

Crystal Growth & Design (2004) 4, 4 701

a=9.000(6)Å   b=8.618(6)Å   c=14.643(10)Å

α=90.00°   β=91.698(17)°   γ=90.00°

6-amino-2-(4-chlorophenylsulfonylimino)-1,2-dihydropyridine

C11H10ClN3O2S

Kirchner, Michael T.Reddy, L. SreenivasDesiraju, Gautam R.Jetti, Ram K. R.Boese, Roland

Crystal Growth & Design (2004) 4, 4 701

a=13.725(6)Å   b=7.312(3)Å   c=25.419(11)Å

α=90.00°   β=92.886(8)°   γ=90.00°

6-amino-2-(4-bromophenylsulfonylimino)-1,2-dihydropyridine

C11H10BrN3O2S

Kirchner, Michael T.Reddy, L. SreenivasDesiraju, Gautam R.Jetti, Ram K. R.Boese, Roland

Crystal Growth & Design (2004) 4, 4 701

a=10.7951(9)Å   b=18.2559(15)Å   c=26.335(2)Å

α=90.00°   β=94.330(2)°   γ=90.00°

6-amino-2-(4-iodophenylsulfonylimino)-1,2-dihydropyridine

C11H10IN3O2S

Kirchner, Michael T.Reddy, L. SreenivasDesiraju, Gautam R.Jetti, Ram K. R.Boese, Roland

Crystal Growth & Design (2004) 4, 4 701

a=10.755(2)Å   b=18.300(3)Å   c=26.828(5)Å

α=90.00°   β=90.00°   γ=90.00°

6-amino-2-(4-methylphenylsulfonylimino)-1,2-dihydropyridine

C12H13N3O2S

Kirchner, Michael T.Reddy, L. SreenivasDesiraju, Gautam R.Jetti, Ram K. R.Boese, Roland

Crystal Growth & Design (2004) 4, 4 701

a=15.015(6)Å   b=10.880(5)Å   c=17.066(7)Å

α=90.00°   β=113.457(8)°   γ=90.00°

6-amino-2-(4-methoxyphenylsulfonylimino)-1,2-dihydropyridine

C12H13N3O3S

Kirchner, Michael T.Reddy, L. SreenivasDesiraju, Gautam R.Jetti, Ram K. R.Boese, Roland

Crystal Growth & Design (2004) 4, 4 701

a=10.614(3)Å   b=18.276(5)Å   c=27.402(7)Å

α=90.00°   β=90.00°   γ=90.00°

6-amino-2-(4-methylphenylsulfonylimino)-1,2-dihydropyridine

C12H13N3O2S

Kirchner, Michael T.Reddy, L. SreenivasDesiraju, Gautam R.Jetti, Ram K. R.Boese, Roland

Crystal Growth & Design (2004) 4, 4 701

a=10.834(3)Å   b=17.749(4)Å   c=26.473(7)Å

α=90.00°   β=94.531(7)°   γ=90.00°

6-amino-2-[4-(trifluoromethyl)phenylsulfonylimino]-1,2-dihydropyridine

C12H10F3N3O2S

Kirchner, Michael T.Reddy, L. SreenivasDesiraju, Gautam R.Jetti, Ram K. R.Boese, Roland

Crystal Growth & Design (2004) 4, 4 701

a=10.8897(13)Å   b=18.343(2)Å   c=26.640(3)Å

α=90.00°   β=90.00°   γ=90.00°

6-amino-2-(4-nitrophenylsulfonylimino)-1,2-dihydropyridine

C11H12N4O5S

Kirchner, Michael T.Reddy, L. SreenivasDesiraju, Gautam R.Jetti, Ram K. R.Boese, Roland

Crystal Growth & Design (2004) 4, 4 701

a=14.663(16)Å   b=12.276(16)Å   c=7.589(11)Å

α=90.00°   β=96.16(9)°   γ=90.00°

Propane-ethanol-methane-hydrate

C2.878H11.38O5

Kirchner, M. T.Boese, R.Billups, W. E.Norman, L. R.

Journal of the American Chemical Society (2004) 126, 9407-9412

a=17.1925Å   b=17.1925Å   c=17.1925Å

α=90°   β=90°   γ=90°

Propane-hydrate

C1.72H18O10

Kirchner, M. T.Boese, R.Billups, W. E.Norman, L. R.

Journal of the American Chemical Society (2004) 126, 9407-9412

a=17.175Å   b=17.175Å   c=17.175Å

α=90°   β=90°   γ=90°