Structures published

Total: 35

Cyclometalated ruthenium complexes from naturally occurring quinones: Studies on their photophysical features, computational details and trypanocidal activity?

C₄₉H₃₉F₁₂N₉OP₂Ru

Souza, Clayton Silva, Rafaela Fernandes, Philipe Souza Filho, Jose D.Duarte, Hélio Anderson Araujo, Maria Helena Simone, Carlos de Castro, Solange Menna-Barreto, Rubem F. S.Demicheli, Cynthia da Silva Júnior, Eufrânio N.

New J. Chem. (2017)

a=12.9980(3)Å b=17.7660(4)Å c=24.1930(5)Å

α=90° β=120.5210(10)° γ=90°

10,11-Dihydro-5H-dibenzo(a,d)cycloheptene-5-carboxamide

C₁₆H₁₅NO

Florence, A. J.Shankland, K.Gelbrich, T.Hursthouse, M. B.Shankland, N.Johnston, A.Fernandes, P.Leech, C. K.

CrystEngComm (2008) 10, 1 26

a=5.6491(1)Å b=19.5639(4)Å c=22.0741(5)Å

α=84.2178(13)° β=88.4073(14)° γ=83.6001(13)°

Cytenamide form II

C₁₆H₁₃N₁O₁

Florence, A. J.Bedford, C. T.Fabbiani, F. P. A.Shankland, K.Gelbrich, T.Hursthouse, M. B.Shankland, N.Johnston, A.Fernandes, P.

CrystEngComm (2008) 10, 7 811

a=5.8100(2)Å b=19.6315(5)Å c=21.7087(6)Å

α=85.918(2)° β=86.164(2)° γ=84.482(2)°

Cytenamide form I

C₁₆H₁₃N₁O₁

Florence, A. J.Bedford, C. T.Fabbiani, F. P. A.Shankland, K.Gelbrich, T.Hursthouse, M. B.Shankland, N.Johnston, A.Fernandes, P.

CrystEngComm (2008) 10, 7 811

a=33.9078(10)Å b=33.9078(10)Å c=5.6754(2)Å

α=90° β=90° γ=120°

Creatine form II

C₄H₉N₃O₂

Arlin, Jean-Baptiste Bhardwaj, Rajni M.Johnston, Andrea Miller, Gary J.Bardin, Julie MacDougall, Fiona Fernandes, Philippe Shankland, Kenneth David, William I. F.Florence, Alastair J.

CrystEngComm (2014) 16, 35 8197

a=9.8450(3)Å b=5.8373(2)Å c=11.6698(3)Å

α=90° β=105.723(2)° γ=90°

Creatine formic acid solvate

C₄H₉N₃O_2,CH₂O₂

Arlin, Jean-Baptiste Bhardwaj, Rajni M.Johnston, Andrea Miller, Gary J.Bardin, Julie MacDougall, Fiona Fernandes, Philippe Shankland, Kenneth David, William I. F.Florence, Alastair J.

CrystEngComm (2014) 16, 35 8197

a=17.4929(14)Å b=4.7791(4)Å c=10.1101(8)Å

α=90.00° β=90.00° γ=90.00°

Creatine form I

C₄H₉N₃O₂

Arlin, Jean-Baptiste Bhardwaj, Rajni M.Johnston, Andrea Miller, Gary J.Bardin, Julie MacDougall, Fiona Fernandes, Philippe Shankland, Kenneth David, William I. F.Florence, Alastair J.

CrystEngComm (2014) 16, 35 8197

a=11.9450(2)Å b=9.5273(1)Å c=5.3438(1)Å

α=90° β=90° γ=90°

Creatine form II

C₄H₉N₃O₂

Arlin, Jean-Baptiste Bhardwaj, Rajni M.Johnston, Andrea Miller, Gary J.Bardin, Julie MacDougall, Fiona Fernandes, Philippe Shankland, Kenneth David, William I. F.Florence, Alastair J.

CrystEngComm (2014) 16, 35 8197

a=9.8450(3)Å b=5.8373(2)Å c=11.6698(3)Å

α=90° β=105.723(2)° γ=90°

Creatine formic acid solvate

C₄H₉N₃O_2,CH₂O₂

Arlin, Jean-Baptiste Bhardwaj, Rajni M.Johnston, Andrea Miller, Gary J.Bardin, Julie MacDougall, Fiona Fernandes, Philippe Shankland, Kenneth David, William I. F.Florence, Alastair J.

CrystEngComm (2014) 16, 35 8197

a=17.4929(14)Å b=4.7791(4)Å c=10.1101(8)Å

α=90.00° β=90.00° γ=90.00°

6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide

C₇H₆ClN₃O₄S₂

Fernandes, P.Shankland, K.David, W. I. F.Markvardsen, A. J.Florence, A. J.Shankland, N.Leech, C. K.

Journal of Applied Crystallography (2008) 41, 6 1089-1094

a=4.8481(16)Å b=6.359(2)Å c=8.900(3)Å

α=74.49(3)° β=83.90(3)° γ=80.53(3)°

6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide

C₇H₆ClN₃O₄S₂

Fernandes, P.Shankland, K.David, W. I. F.Markvardsen, A. J.Florence, A. J.Shankland, N.Leech, C. K.

Journal of Applied Crystallography (2008) 41, 6 1089-1094

a=4.8619(17)Å b=6.377(2)Å c=8.926(3)Å

α=74.40(3)° β=83.93(3)° γ=80.56(3)°

6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide

C₇H₆ClN₃O₄S₂

Fernandes, P.Shankland, K.David, W. I. F.Markvardsen, A. J.Florence, A. J.Shankland, N.Leech, C. K.

Journal of Applied Crystallography (2008) 41, 6 1089-1094

a=4.8707(9)Å b=6.3951(12)Å c=8.9448(16)Å

α=74.368(16)° β=83.786(14)° γ=80.459(15)°

6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide

C₇H₆ClN₃O₄S₂

Fernandes, P.Shankland, K.David, W. I. F.Markvardsen, A. J.Florence, A. J.Shankland, N.Leech, C. K.

Journal of Applied Crystallography (2008) 41, 6 1089-1094

a=4.8737(9)Å b=6.4046(13)Å c=8.9548(16)Å

α=74.324(17)° β=83.751(15)° γ=80.449(16)°

6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide

C₇H₆ClN₃O₄S₂

Fernandes, P.Shankland, K.David, W. I. F.Markvardsen, A. J.Florence, A. J.Shankland, N.Leech, C. K.

Journal of Applied Crystallography (2008) 41, 6 1089-1094

a=4.8786(9)Å b=6.4126(13)Å c=8.9665(16)Å

α=74.266(16)° β=83.693(15)° γ=80.445(16)°

Dibenz[a,c]anthracene

C₂₂H₁₄

Fernandes, Philippe Florence, Alastair Shankland, Kenneth David, Bill

Acta Crystallographica Section E (2005) 61, 5 o1483-o1485

a=18.2966(5)Å b=5.06225(10)Å c=15.7245(4)Å

α=90° β=104.5574(15)° γ=90°

3-Azabicyclo[3.3.1]nonane-2,4-dione

C₈H₁₁N₁O₂

Hulme, Ashley T Fernandes, Philippe Florence, Alastair Johnston, Andrea Shankland, Kenneth

Acta Crystallographica Section E (2006) 62, 7 o3046-o3048

a=7.67102(18)Å b=10.5483(2)Å c=18.8867(4)Å

α=90° β=95.5800(12)° γ=90°

Hydrochlorothiazide form II

C₇H₈ClN₃O₄S₂

Florence, Alastair Johnston, Andrea Fernandes, Philippe Shankland, Kenneth Stevens, Howard N. E.Osmundsen, Sigrunn Mullen, Alexander B.

Acta Crystallographica Section E (2005) 61, 9 o2798-o2800

a=9.4884(5)Å b=8.3334(4)Å c=15.1309(7)Å

α=90° β=113.2087(19)° γ=90°

Chlorothiazide dimethylformamide solvate

C₇H₆ClN₃O₄S_2,C₃H₇NO

Fernandes, Philippe Florence, Alastair J.Shankland, Kenneth Shankland, Norman Johnston, Andrea

Acta Crystallographica Section E (2006) 62, 6 o2216-o2218

a=7.9822(4)Å b=8.8830(5)Å c=11.1075(6)Å

α=86.689(3)° β=75.078(3)° γ=73.196(3)°

(R)-1-phenylethylammonium (R)-2-phenylbutyrate

C₈H₁₂N_,C₁₀H₁₁O₂

Fernandes, Philippe Florence, Alastair Shankland, Kenneth Karamertzanis, Panos Hulme, Ashley T Anandamanoharan, Parathay

Acta Crystallographica Section E (2007) 63, 1 o247-o249

a=6.06200(10)Å b=16.7794(3)Å c=16.8881(4)Å

α=90° β=90° γ=90°

Trichlormethiazide

C₈H₈Cl₃N₃O₄S₂

Fernandes, Philippe Leech, Charlotte K.Johnston, Andrea Shankland, Kenneth David, William I. F.Shankland, Norman Florence, Alastair J.

Acta Crystallographica Section E (2007) 63, 9 o3685-o3685

a=8.7881(2)Å b=9.7924(2)Å c=15.8527(3)Å

α=90.00° β=90.00° γ=90.00°

Carbamazepine trifluoroacetic acid solvate

C₁₅H₁₂N₂O_,C₂HF₃O₂

Fernandes, Philippe Bardin, Julie Johnston, Andrea Florence, Alastair J.Leech, Charlotte K.David, William I. F.Shankland, Kenneth

Acta Crystallographica Section E (2007) 63, 11 o4269-o4269

a=15.0142(4)Å b=5.28710(10)Å c=20.2489(6)Å

α=90.00° β=101.735(3)° γ=90.00°

Urea DMF solvate (3/1)

C₃H₇NO_,3(CH₄N₂O)

Fernandes, Philippe Florence, Alastair J.Fabbiani, Francesca David, William I. F.Shankland, Kenneth

Acta Crystallographica Section E (2007) 63, 12 o4861-o4861

a=7.5246(13)Å b=9.866(4)Å c=10.821(4)Å

α=65.61(4)° β=79.43(2)° γ=70.76(2)°

Dihydrocarbamazepine formamide

C₁₅H₁₄N₂O_,CH₃NO

Johnston, Andrea Florence, Alastair J.Fernandes, Philippe Shankland, Norman Kennedy, Alan R.

Acta Crystallographica Section E (2007) 63, 9 o3888-o3889

a=8.4690(4)Å b=9.0215(4)Å c=10.3137(4)Å

α=74.363(3)° β=83.630(3)° γ=70.847(3)°

10,11-Dihydrocarbamazepine--dimethyl sulfoxide (1/1)

C₁₅H₁₄N₂O_1,C₂H₆OS

Johnston, Andrea Florence, Alastair J.Shankland, Kenneth Leech, Charlotte K.Shankland, Norman Fernandes, Philippe

Acta Crystallographica Section E (2007) 63, 9 o3918-o3919

a=10.2696(3)Å b=6.8543(2)Å c=23.3599(6)Å

α=90.00° β=98.932(2)° γ=90.00°

3-azabicyclo[3.3.1]nonane-2,4-dione 1-methylnaphthalene hemisolvate

C₈H₁₁NO_2,0.5C₁₁H₁₀

Hulme, Ashley T Fernandes, Philippe Florence, Alastair Johnston, Andrea Shankland, Kenneth

Acta Crystallographica Section E (2006) 62, 9 o3752-o3754

a=15.02360(18)Å b=7.32295(12)Å c=22.5164(3)Å

α=90° β=106.0201(6)° γ=90°

10,11-Dihydrocarbamazepine--formic acid (1/1)

C₁₅H₁₄N₂O_,CH₂O₂

Johnston, Andrea Florence, Alastair J.Fernandes, Philippe Shankland, Norman Kennedy, Alan R.

Acta Crystallographica Section E (2007) 63, 3 o1469-o1470

a=5.2298(4)Å b=9.3849(12)Å c=14.4858(18)Å

α=83.853(5)° β=88.230(7)° γ=88.221(7)°

Hydroflumethiazide dimethylsulfoxide disolvate

C₈H₈F₃N₃O₄S_2,2C₂H₆OS

Fernandes, Philippe Johnston, Andrea Leech, Charlotte K.Shankland, Kenneth David, William I. F.Florence, Alastair J.

Acta Crystallographica Section E (2007) 63, 10 o3956-o3956

a=5.55700(10)Å b=20.8433(4)Å c=17.4142(3)Å

α=90.00° β=93.540(2)° γ=90.00°

Urea--dimethylacetamide

C₄H₉NO_,CH₄N₂O

Fernandes, Philippe Florence, Alastair J.Fabbiani, Francesca David, William I. F.Shankland, Kenneth

Acta Crystallographica Section E (2008) 64, 2 o355-o355

a=7.2770(3)Å b=17.5394(9)Å c=7.3789(4)Å

α=90° β=119.450(3)° γ=90°

10,11-Dihydrocarbamazepine--acetic acid (1/1)

C₁₅H₁₄N₂O_,C₂H₄O₂

Johnston, Andrea Florence, Alastair J.Fernandes, Philippe Shankland, Norman Kennedy, Alan R.

Acta Crystallographica Section E (2006) 62, 12 o5361-o5362

a=5.3104(4)Å b=15.4246(17)Å c=18.732(2)Å

α=90.00° β=95.106(7)° γ=90.00°

(R)-1-phenylethylammonium (R)-2-phenylbutyrate

C₈H₁₂N_,C₁₀H₁₁O₂

Fernandes, Philippe Florence, Alastair J.Shankland, Kenneth Karamertzanis, G. Panagiotis Hulme, Ashley T.Anandamanoharan, R. Parathy

Acta Crystallographica Section E (2007) 63, 1 o202-o204

a=11.88215(15)Å b=5.97647(8)Å c=13.07499(15)Å

α=90° β=113.5100(10)° γ=90°

Chlorothiazide DMSO solvate

C₇H₆ClN₃O₄S_2,C₂H₆OS

Johnston, Andrea Florence, Alastair J.Fernandes, Philippe Kennedy, Alan R.

Acta Crystallographica Section E (2007) 63, 5 o2423-o2423

a=9.0965(3)Å b=11.2081(4)Å c=15.8916(5)Å

α=109.009(2)° β=103.384(2)° γ=96.246(2)°

Chlorothiazide N,N-dimethylacetamide solvate

C₇H₆ClN₃O₄S_2,2C₄H₉NO

Johnston, Andrea Florence, Alastair J.Fernandes, Philippe Kennedy, Alan R.

Acta Crystallographica Section E (2007) 63, 5 o2422-o2422

a=8.2037(3)Å b=24.5226(6)Å c=10.6443(3)Å

α=90.00° β=105.231(2)° γ=90.00°

Bendroflumethiazide acetone solvate

C₁₅H₁₄F₃N₃O₄S_2,C₃H₆O

Fabbiani, Francesca P. A.Leech, Charlotte K.Shankland, Kenneth Johnston, Andrea Fernandes, Philippe Florence, Alastair J.Shankland, Norman

Acta Crystallographica Section C (2007) 63, 11 o659-o663

a=8.192(2)Å b=9.525(2)Å c=14.101(2)Å

α=99.538(17)° β=100.171(17)° γ=100.42(2)°

Bendroflumethiazide N,N-dimethylformamide solvate

C₁₅H₁₄F₃N₃O₄S_2,C₃H₇NO

Fabbiani, Francesca P. A.Leech, Charlotte K.Shankland, Kenneth Johnston, Andrea Fernandes, Philippe Florence, Alastair J.Shankland, Norman

Acta Crystallographica Section C (2007) 63, 11 o659-o663

a=8.2527(3)Å b=17.8431(7)Å c=14.9012(5)Å

α=90° β=103.752(4)° γ=90°

Creatine form I

C₄H₉N₃O₂

Arlin, Jean-Baptiste Bhardwaj, Rajni M.Johnston, Andrea Miller, Gary J.Bardin, Julie MacDougall, Fiona Fernandes, Philippe Shankland, Kenneth David, William I. F.Florence, Alastair J.

CrystEngComm (2014) 16, 35 8197

a=11.9450(2)Å b=9.5273(1)Å c=5.3438(1)Å

α=90° β=90° γ=90°