Structures published

Total: 63

[ReH8BBN4][K(18c6)(DME)]

C₃₂H₆₄B₄Re_,C₁₆H_34.03KO₈

Donnelly, Liam J.Parsons, Simon Morrison, Carole A.Thomas, Stephen P.Love, Jason B.

Chemical Science (2020)

a=11.2627(2)Å b=15.9727(3)Å c=16.0123(2)Å

α=96.7140(10)° β=91.2900(10)° γ=102.351(2)°

[ReH7(Bpin)3][K(18c6)(DME)]

C₁₈H₄₃B₃O₆Re_,C₁₆H₃₄KO₈

Donnelly, Liam J.Parsons, Simon Morrison, Carole A.Thomas, Stephen P.Love, Jason B.

Chemical Science (2020)

a=13.7160(14)Å b=23.102(2)Å c=14.7725(15)Å

α=90° β=91.810(3)° γ=90°

Fenobam

C₁₁H₁₁ClN₄O₂

Sajesh P. Thomas Mysore S. Pavan T. N. Guru Row

Chem.Commun. (2013) 50, 49

a=12.8504(2)Å b=7.69270(10)Å c=11.9619(2)Å

α=90° β=101.3210(10)° γ=90°

Dimethylamine 4-hydroxybenzoate

C₇H₅O_3,C₂H₈N

Sajesh P. Thomas Mysore S. Pavan T. N. Guru Row

Chem.Commun. (2013) 50, 49

a=10.2123(2)Å b=9.9415(2)Å c=19.0947(4)Å

α=90° β=90° γ=90°

Thiophenol-selenophenol alloy

(C₆H₆S)_0.95,(C₆H₆Se)_0.05

Sajesh P. Thomas R. Sathishkumar T. N. Guru Row

Chem.Commun. (2015) 51, 14255

a=13.8535(14)Å b=11.4448(13)Å c=7.1913(7)Å

α=90.00° β=90.00° γ=90.00°

(C₆H₆S)_0.91,(C₆H₆Se)_0.09

Sajesh P. Thomas R. Sathishkumar T. N. Guru Row

Chem.Commun. (2015) 51, 14255

a=13.856(4)Å b=11.425(3)Å c=7.1934(18)Å

α=90.00° β=90.00° γ=90.00°

Thiophenol

C₆H₆S

Sajesh P. Thomas R. Sathishkumar T. N. Guru Row

Chem.Commun. (2015) 51, 14255

a=7.1905(10)Å b=11.4643(15)Å c=13.8150(18)Å

α=90.00° β=90.00° γ=90.00°

Thiophenol-selenophenol alloy

(C₆H₆S)_0.75,(C₆H₆Se)_0.25

Sajesh P. Thomas R. Sathishkumar T. N. Guru Row

Chem.Commun. (2015) 51, 14255

a=7.2109(10)Å b=11.3897(16)Å c=13.9705(19)Å

α=90° β=90° γ=90°

Selenophenol

C₆H₆Se

Sajesh P. Thomas R. Sathishkumar T. N. Guru Row

Chem.Commun. (2015) 51, 14255

a=7.329(4)Å b=11.226(5)Å c=14.422(7)Å

α=90.00° β=90.00° γ=90.00°

Thiophenol-selenophenol alloy

(C₆H₆S)_0.57,(C₆H₆Se)_0.43

Sajesh P. Thomas R. Sathishkumar T. N. Guru Row

Chem.Commun. (2015) 51, 14255

a=7.2621(18)Å b=11.371(3)Å c=14.155(3)Å

α=90° β=90° γ=90°

C₁₃H₁₀F₂N₂

Dey, Dhananjay Thomas, Sajesh P.Spackman, Mark A.Chopra, Deepak

Chemical communications (Cambridge, England) (2016) 52, 10 2141-2144

a=12.7028(17)Å b=8.3775(8)Å c=11.5509(12)Å

α=90.00° β=117.017(5)° γ=90.00°

C₇H₂ClF₃O

Dey, Dhananjay Bhandary, Subhrajyoti Thomas, Sajesh P.Spackman, Mark A.Chopra, Deepak

Physical chemistry chemical physics : PCCP (2016) 18, 46 31811-31820

a=13.4138(5)Å b=5.1617(2)Å c=20.5882(7)Å

α=90° β=97.546(2)° γ=90°

C₇H₄ClFO

Dey, Dhananjay Bhandary, Subhrajyoti Thomas, Sajesh P.Spackman, Mark A.Chopra, Deepak

Physical chemistry chemical physics : PCCP (2016) 18, 46 31811-31820

a=3.8275(5)Å b=10.9838(12)Å c=16.3303(16)Å

α=90° β=95.919(8)° γ=90°

C₁₃H₁₁FN₂

Dey, Dhananjay Thomas, Sajesh P.Spackman, Mark A.Chopra, Deepak

Chemical communications (Cambridge, England) (2016) 52, 10 2141-2144

a=10.0641(3)Å b=11.0425(3)Å c=12.1824(3)Å

α=114.9240(10)° β=95.0550(10)° γ=111.4760(10)°

C₇H₃ClF₂O

Dey, Dhananjay Bhandary, Subhrajyoti Thomas, Sajesh P.Spackman, Mark A.Chopra, Deepak

Physical chemistry chemical physics : PCCP (2016) 18, 46 31811-31820

a=3.7798(4)Å b=18.1130(13)Å c=10.0510(8)Å

α=90° β=95.479(4)° γ=90°

Acetazolamide

C₄H₆N₄O₃S₂

Thomas, Sajesh P.Jayatilaka, Dylan Guru Row, T. N.

Physical chemistry chemical physics : PCCP (2015) 17, 38 25411-25420

a=5.2819(5)Å b=8.9293(9)Å c=9.3525(9)Å

α=104.658(9)° β=99.308(8)° γ=99.803(8)°

Fenobam monohydrate

C₁₁H₁₁ClN₄O_2,H₂O

Sajesh P. Thomas K. Nagarajan T. N. Guru Row

Chem.Commun. (2012) 48, 10559

a=7.7579(16)Å b=8.6433(16)Å c=10.536(2)Å

α=92.620(16)° β=92.898(17)° γ=114.618(19)°

Fenobam hemihydrate

2(C₁₁H₁₁ClN₄O₂)_,H₂O

Sajesh P. Thomas K. Nagarajan T. N. Guru Row

Chem.Commun. (2012) 48, 10559

a=9.8299(15)Å b=11.4813(19)Å c=11.6916(15)Å

α=105.930(13)° β=97.779(12)° γ=104.196(13)°

Fenobam

C₁₁H₁₁ClN₄O₂

Sajesh P. Thomas K. Nagarajan T. N. Guru Row

Chem.Commun. (2012) 48, 10559

a=9.8920(7)Å b=9.5113(7)Å c=12.8459(9)Å

α=90° β=101.984(8)° γ=90°

Aminomethylpyrimidiniumphosphate

C₅H₈N_3,H₂O₄P

Thomas, Sajesh P.Sunkari, Jyothi

Acta crystallographica. Section E, Structure reports online (2013) 69, Pt 4 o529

a=6.1720(2)Å b=7.5616(3)Å c=9.9216(4)Å

α=100.562(3)° β=99.821(3)° γ=102.279(4)°

7,9-di(thiophen-2-yl)-8H-cyclopenta[a]acenaphthylen-8-one

C₂₃H₁₂OS₂

Bai, Monalisa Thomas, Sajesh P.Kottokkaran, Ranjith Nayak, Susanta K.Ramamurthy, Praveen C.Guru Row, T. N.

Crystal Growth & Design (2014) 14, 2 459

a=40.457(5)Å b=3.9423(6)Å c=10.2361(14)Å

α=90° β=91.359(12)° γ=90°

C₂₂H₃₄B₂O₂

Docherty, Jamie H.Nicholson, Kieran Dominey, Andrew P.Thomas, Stephen P.

ACS Catalysis (2020) 4686

a=15.0776(2)Å b=6.63350(10)Å c=21.5511(3)Å

α=90° β=102.6000(10)° γ=90°

C₃₆H₃₆FeN₆O₆

MacNair, Alistair J.Millet, Clément R. P.Nichol, Gary S.Ironmonger, Alan Thomas, Stephen P.

ACS Catalysis (2016) 6, 10 7217

a=8.0949(2)Å b=23.7481(5)Å c=17.1961(5)Å

α=90° β=97.427(3)° γ=90°

C₃₈H₄₂FeN₄O_4,C₄H₈O

MacNair, Alistair J.Millet, Clément R. P.Nichol, Gary S.Ironmonger, Alan Thomas, Stephen P.

ACS Catalysis (2016) 6, 10 7217

a=15.49431(14)Å b=16.23501(13)Å c=15.84297(16)Å

α=90° β=107.2868(10)° γ=90°

C₃₆H₃₈FeN₄O_2,C₄H₈O

MacNair, Alistair J.Millet, Clément R. P.Nichol, Gary S.Ironmonger, Alan Thomas, Stephen P.

ACS Catalysis (2016) 6, 10 7217

a=24.0256(5)Å b=13.1262(3)Å c=22.3213(6)Å

α=90° β=90° γ=90°

C₁₂₆H₁₃₈Fe₄N₁₂O_6,2(F₆P)_,4(C₆H₆)

MacNair, Alistair J.Millet, Clément R. P.Nichol, Gary S.Ironmonger, Alan Thomas, Stephen P.

ACS Catalysis (2016) 6, 10 7217

a=22.7811(6)Å b=22.9453(6)Å c=13.3383(3)Å

α=90° β=90° γ=90°

Methanesulfonamide: 18-crown-6

2(CH₅NO₂S)_,C₁₂H₂₄O₆

Shi, Ming W.Thomas, Sajesh P.Koutsantonis, George A.Spackman, Mark A.

Crystal Growth & Design (2015) 15, 12 5892

a=9.06021(18)Å b=11.41494(18)Å c=10.5969(2)Å

α=90° β=100.2708(18)° γ=90°

P-toluenesulfonamide 18-crown-6 complex

2(C₇H₉NO₂S)_,2(C₆H₁₂O₃)

Shi, Ming W.Thomas, Sajesh P.Koutsantonis, George A.Spackman, Mark A.

Crystal Growth & Design (2015) 15, 12 5892

a=17.5382(3)Å b=8.96058(15)Å c=19.9529(3)Å

α=90° β=101.2588(14)° γ=90°

18-crown-6: benzene sulfonamide 1:1 cocrystal

C₆H₇NO₂S_,C₁₂H₂₄O₆

Shi, Ming W.Thomas, Sajesh P.Koutsantonis, George A.Spackman, Mark A.

Crystal Growth & Design (2015) 15, 12 5892

a=8.3069(5)Å b=16.5244(8)Å c=15.5695(7)Å

α=90.00° β=95.397(5)° γ=90.00°

2(C₆H₇NO₂S)_,2(C₆H₁₂O₃)

Shi, Ming W.Thomas, Sajesh P.Koutsantonis, George A.Spackman, Mark A.

Crystal Growth & Design (2015) 15, 12 5892

a=16.4214(5)Å b=9.4791(3)Å c=19.0970(5)Å

α=90° β=105.823(3)° γ=90°

2(C₉H₁₁N₄O₂S₂)_,O₄Se

Thomas, Sajesh P.Veccham, Srimukh Prasad K. P.Farrugia, Louis J.Guru Row, T. N.

Crystal Growth & Design (2015) 15, 5 2110

a=5.8358(5)Å b=14.2437(14)Å c=16.2986(17)Å

α=81.747(8)° β=81.388(8)° γ=79.170(8)°

C₉H₁₁N₄O₂S_2,C₂HO₄

Thomas, Sajesh P.Veccham, Srimukh Prasad K. P.Farrugia, Louis J.Guru Row, T. N.

Crystal Growth & Design (2015) 15, 5 2110

a=8.0965(2)Å b=20.7655(8)Å c=8.6450(3)Å

α=90° β=99.261(3)° γ=90°

Sulfamethizole:4-aminopyridine hemihydrate

2(C₉H₉N₄O₂S₂)_,2(C₅H₇N₂)_,H₂O

Thomas, Sajesh P.Veccham, Srimukh Prasad K. P.Farrugia, Louis J.Guru Row, T. N.

Crystal Growth & Design (2015) 15, 5 2110

a=8.2663(4)Å b=13.2756(6)Å c=16.3969(7)Å

α=80.078(4)° β=77.538(4)° γ=87.524(4)°

Sulfamethizole sulfate

2(C₉H₁₁N₄O₂S₂)_,O₄S

Thomas, Sajesh P.Veccham, Srimukh Prasad K. P.Farrugia, Louis J.Guru Row, T. N.

Crystal Growth & Design (2015) 15, 5 2110

a=5.7635(3)Å b=14.2583(6)Å c=16.1039(8)Å

α=81.266(4)° β=81.295(4)° γ=79.045(4)°

Sulphamethizole

2(C₉H₁₁N₄O₂S₂)_,O₄S

Thomas, Sajesh P.Veccham, Srimukh Prasad K. P.Farrugia, Louis J.Guru Row, T. N.

Crystal Growth & Design (2015) 15, 5 2110

a=5.69640(10)Å b=14.2090(2)Å c=15.9716(2)Å

α=81.4790(10)° β=82.2630(10)° γ=79.1580(10)°

C₁₇H₄₄N₁₀O₁₁

Shi, Ming W.Thomas, Sajesh P.Hathwar, Venkatesha R.Edwards, Alison J.Piltz, Ross O.Jayatilaka, Dylan Koutsantonis, George A.Overgaard, Jacob Nishibori, Eiji Iversen, Bo B.Spackman, Mark A.

Journal of the American Chemical Society (2019) 141, 9 3965-3976

a=17.8250(3)Å b=8.25020(10)Å c=20.6233(4)Å

α=90° β=108.527(8)° γ=90°

18-crown-6 pentakis(urea)

C₁₂H₂₄O_6,5(C₁H₄N₂O₁)

Shi, Ming W.Thomas, Sajesh P.Hathwar, Venkatesha R.Edwards, Alison J.Piltz, Ross O.Jayatilaka, Dylan Koutsantonis, George A.Overgaard, Jacob Nishibori, Eiji Iversen, Bo B.Spackman, Mark A.

Journal of the American Chemical Society (2019) 141, 9 3965-3976

a=17.8250(3)Å b=8.25020(10)Å c=20.6233(4)Å

α=90° β=108.527(8)° γ=90°

Neipn21

C₄₁H₅₂FeN_5,C₂₀H₄₀Br_0.60Cl_0.40MgO₅

Neate, Peter G. N.Greenhalgh, Mark D.Brennessel, William W.Thomas, Stephen P.Neidig, Michael L.

Journal of the American Chemical Society (2019) 141, 25 10099-10108

a=22.6754(5)Å b=12.3150(7)Å c=24.0776(7)Å

α=90° β=90° γ=90°

C₃₂H₃₂Fe_,C₂₀H₄₀Br_0.69Cl_0.31MgO_5,3(C₄H₈O)

Neate, Peter G. N.Greenhalgh, Mark D.Brennessel, William W.Thomas, Stephen P.Neidig, Michael L.

Journal of the American Chemical Society (2019) 141, 25 10099-10108

a=11.94400(10)Å b=13.0469(2)Å c=21.0494(2)Å

α=72.3390(10)° β=80.7430(10)° γ=74.6990(10)°

Neipn01

C₃₇H₅₂FeN_3,C₂₀H₄₀Br_0.67Cl_0.33MgO_5,2.5(C₄H₈O)

Neate, Peter G. N.Greenhalgh, Mark D.Brennessel, William W.Thomas, Stephen P.Neidig, Michael L.

Journal of the American Chemical Society (2019) 141, 25 10099-10108

a=11.4045(18)Å b=22.533(4)Å c=26.176(4)Å

α=90° β=99.122(3)° γ=90°

Ferulic acid

C₁₀H₁₀O₄

Thomas, Sajesh P.Pavan, Mysore S.Guru Row, Tayur N.

Crystal Growth & Design (2012) 12, 12 6083

a=4.58870(10)Å b=16.7619(2)Å c=11.7853(2)Å

α=90° β=91.8520(10)° γ=90°

Fenobam

C₁₁H₁₁ClN₄O₂

Sajesh P. Thomas K. Nagarajan T. N. Guru Row

Chem.Commun. (2012) 48, 10559

a=12.8327(14)Å b=7.6792(14)Å c=11.9725(14)Å

α=90° β=101.188(9)° γ=90°

(C₆H₇NO₂S)_2,C₁₂H₂₄O₆

Shi, Ming W.Thomas, Sajesh P.Koutsantonis, George A.Spackman, Mark A.

Crystal Growth & Design (2015) 15, 12 5892

a=9.5021(3)Å b=14.5233(5)Å c=9.8682(3)Å

α=90.00° β=94.627(3)° γ=90.00°

C₉H₁₀N₄O₂S_2,C₇H₇NO₂

Thomas, Sajesh P.Veccham, Srimukh Prasad K. P.Farrugia, Louis J.Guru Row, T. N.

Crystal Growth & Design (2015) 15, 5 2110

a=9.3453(4)Å b=10.8396(4)Å c=18.5068(8)Å

α=90° β=101.883(4)° γ=90°