Structures published

Total: 61

Codeine Monohydrate

C₁₈H₂₁NO_3,H₂O

Braun, Doris E.Gelbrich, Thomas Kahlenberg, Volker Griesser, Ulrich J.

Molecular pharmaceutics (2014) 11, 9 3145-3163

a=10.3994(2)Å b=12.5671(2)Å c=12.0640(2)Å

α=90° β=90° γ=90°

Codeine Hydrochloride Dihydrate

C₁₈H₂₂NO_31,Cl_1,2(H₂O)

Braun, Doris E.Gelbrich, Thomas Kahlenberg, Volker Griesser, Ulrich J.

Molecular pharmaceutics (2014) 11, 9 3145-3163

a=6.7621(5)Å b=12.9315(9)Å c=20.3080(14)Å

α=90° β=90° γ=90°

Codeine Hydrochloride Anhydrate I

C₁₈H₂₂NO_3,Cl

Braun, Doris E.Gelbrich, Thomas Kahlenberg, Volker Griesser, Ulrich J.

Molecular pharmaceutics (2014) 11, 9 3145-3163

a=7.14435(17)Å b=13.2304(3)Å c=16.5408(4)Å

α=90° β=90° γ=90°

Ethylmorphine Monohydrate

C₁₉H₂₃NO_3,H₂O

Braun, Doris E.Gelbrich, Thomas Kahlenberg, Volker Griesser, Ulrich J.

Molecular pharmaceutics (2014) 11, 9 3145-3163

a=7.08246(18)Å b=13.1493(3)Å c=18.0581(5)Å

α=90° β=90° γ=90°

Ethylmorphine Hydrochloride Dihydrate

C₁₉H₂₄NO_3,Cl_,2(H₂O)

Braun, Doris E.Gelbrich, Thomas Kahlenberg, Volker Griesser, Ulrich J.

Molecular pharmaceutics (2014) 11, 9 3145-3163

a=6.8715(2)Å b=13.3924(4)Å c=20.4176(5)Å

α=90° β=90° γ=90°

1,3,5-trihydroxybenzene dihydrate

C₆H₆O_3,2(H₂O)

Braun, Doris E.Tocher, Derek A.Price, Sarah L.Griesser, Ulrich J.

The journal of physical chemistry. B (2012) 116, 13 3961-3972

a=6.6209(17)Å b=13.5606(25)Å c=8.0462(15)Å

α=90° β=90° γ=90°

3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid Hydrate A 1.95

C₂₂H₂₅N₃O_3,H_3.90O_1.95

Braun, Doris E.Koztecki, Lien H.McMahon, Jennifer A.Price, Sarah L.Reutzel-Edens, Susan M

Molecular pharmaceutics (2015) 12, 8 3069-3088

a=26.663(7)Å b=9.634(2)Å c=20.863(9)Å

α=90° β=128.322(6)° γ=90°

3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid Dihydrate

C₂₂H₂₅N₃O_3,2(H₂O)

Braun, Doris E.Koztecki, Lien H.McMahon, Jennifer A.Price, Sarah L.Reutzel-Edens, Susan M

Molecular pharmaceutics (2015) 12, 8 3069-3088

a=13.212(2)Å b=9.1505(15)Å c=18.160(3)Å

α=90° β=105.195(11)° γ=90°

3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid Hydrate A 1.73

C₂₂H₂₅N₃O_3,H_3.46O_1.73

Braun, Doris E.Koztecki, Lien H.McMahon, Jennifer A.Price, Sarah L.Reutzel-Edens, Susan M

Molecular pharmaceutics (2015) 12, 8 3069-3088

a=26.498(3)Å b=9.6469(8)Å c=20.342(3)Å

α=90° β=128.706(4)° γ=90°

C₇H₁₁N₂OS_,Br

Braun, Doris Elfriede Lampl, Martin Kahlenberg, Volker Wurst, Klaus Schottenberger, Herwig Hummel, Michael Griesser, Ulrich J.

CrystEngComm (2020)

a=11.2359(2)Å b=14.9020(2)Å c=12.3361(3)Å

α=90° β=111.2210(10)° γ=90°

C₇H₁₁N₂OS_,Cl

Braun, Doris Elfriede Lampl, Martin Kahlenberg, Volker Wurst, Klaus Schottenberger, Herwig Hummel, Michael Griesser, Ulrich J.

CrystEngComm (2020)

a=11.1116(2)Å b=14.6502(3)Å c=12.1138(4)Å

α=90° β=111.270(2)° γ=90°

C₅H₉N₄OS_,Br

Braun, Doris Elfriede Lampl, Martin Kahlenberg, Volker Wurst, Klaus Schottenberger, Herwig Hummel, Michael Griesser, Ulrich J.

CrystEngComm (2020)

a=5.8057(3)Å b=19.4234(11)Å c=8.3009(5)Å

α=90° β=102.153(5)° γ=90°

C₆H₁₀N₃OS_,Br

Braun, Doris Elfriede Lampl, Martin Kahlenberg, Volker Wurst, Klaus Schottenberger, Herwig Hummel, Michael Griesser, Ulrich J.

CrystEngComm (2020)

a=15.1584(6)Å b=6.9422(3)Å c=8.7807(4)Å

α=90° β=90° γ=90°

C₇H₁₁N₂OS_,Cl

Braun, Doris Elfriede Lampl, Martin Kahlenberg, Volker Wurst, Klaus Schottenberger, Herwig Hummel, Michael Griesser, Ulrich J.

CrystEngComm (2020)

a=17.1960(8)Å b=8.4197(5)Å c=6.6408(3)Å

α=90° β=95.281(4)° γ=90°

Aprepitant, form II

C₂₃H₂₁F₇N₄O₃

Braun, Doris E.Gelbrich, Thomas Kahlenberg, Volker Laus, Gerhard Wieser, Josef Griesser, Ulrich J.

New Journal of Chemistry (2008) 32, 10 1677

a=7.7768(16)Å b=7.4072(11)Å c=21.297(5)Å

α=90° β=92.861(17)° γ=90°

Aprepitant, form I

C₂₃H₂₁F₇N₄O₃

Braun, Doris E.Gelbrich, Thomas Kahlenberg, Volker Laus, Gerhard Wieser, Josef Griesser, Ulrich J.

New Journal of Chemistry (2008) 32, 10 1677

a=7.421(4)Å b=7.710(4)Å c=42.200(2)Å

α=90° β=90° γ=90°

3-(3-methylimidazolium-1-yl)propanoate dihydrate

C₇H₁₀N₂O_2,2(H₂O)

Braun, Doris E.Lampl, Martin Wurst, Klaus Kahlenberg, Volker Griesser, Ulrich J.Schottenberger, Herwig

CrystEngComm (2018) 20, 48 7826

a=7.3825(4)Å b=8.4170(4)Å c=8.8371(4)Å

α=113.2550(10)° β=105.1800(10)° γ=95.990(2)°

3-(3-methylimidazolium-1-yl)propanoate

C₇H₁₀N₂O₂

Braun, Doris E.Lampl, Martin Wurst, Klaus Kahlenberg, Volker Griesser, Ulrich J.Schottenberger, Herwig

CrystEngComm (2018) 20, 48 7826

a=6.6643(4)Å b=8.7065(5)Å c=12.8000(8)Å

α=90° β=90° γ=90°

3-(3-methylimidazolium-1-yl)propanoate monohydrate

C₇H₁₀N₂O_2,H₂O

Braun, Doris E.Lampl, Martin Wurst, Klaus Kahlenberg, Volker Griesser, Ulrich J.Schottenberger, Herwig

CrystEngComm (2018) 20, 48 7826

a=7.7258(7)Å b=12.6758(12)Å c=8.8421(9)Å

α=90° β=105.550(10)° γ=90°

1 (2 carboxyethyl)-3-methylimidazolium chloride

C₇H₁₁N₂O_2,Cl

Braun, Doris E.Lampl, Martin Wurst, Klaus Kahlenberg, Volker Griesser, Ulrich J.Schottenberger, Herwig

CrystEngComm (2018) 20, 48 7826

a=20.1911(9)Å b=7.9146(3)Å c=22.5627(11)Å

α=90° β=92.268(2)° γ=90°

Dapsone nitromethane hemisolvate

2(C₁₂H₁₂N₂O₂S)_,CH₃NO₂

Braun, Doris E.Gelbrich, Thomas Griesser, Ulrich J.

CrystEngComm (2019) 21, 36 5533

a=8.4167(2)Å b=16.3415(3)Å c=19.1383(4)Å

α=90° β=95.832(2)° γ=90°

Dapsone acetonitrile hemisolvate

2(C₁₂H₁₂N₂O₂S)_,C₂H₃N

Braun, Doris E.Gelbrich, Thomas Griesser, Ulrich J.

CrystEngComm (2019) 21, 36 5533

a=8.5132(2)Å b=16.1830(3)Å c=18.9865(4)Å

α=90° β=97.818(2)° γ=90°

Cinacalcet HCl acetic acid solvate

C₂₄H₂₇ClF₃NO₂

Braun, Doris E.Kahlenberg, Volker Gelbrich, Thomas Ludescher, Johannes Griesser, Ulrich J.

CrystEngComm (2008) 10, 11 1617

a=7.5434(8)Å b=18.575(2)Å c=16.7756(19)Å

α=90° β=90° γ=90°

Isonicotinamide

C₆H₆N₂O

Eccles, Kevin S.Deasy, Rebecca E.Fábián, László Braun, Doris E.Maguire, Anita R.Lawrence, Simon E.

CrystEngComm (2011) 13, 23 6923

a=11.0819(6)Å b=7.9976(4)Å c=9.9850(5)Å

α=90° β=94.0480(10)° γ=90°

C₆H₆N₂O₁

Eccles, Kevin S.Deasy, Rebecca E.Fábián, László Braun, Doris E.Maguire, Anita R.Lawrence, Simon E.

CrystEngComm (2011) 13, 23 6923

a=5.1923(11)Å b=9.466(3)Å c=12.259(3)Å

α=90.00° β=91.217(7)° γ=90.00°

(Antipyrine)(4-Aminobenzoic acid)

C₁₁H₁₂N₂O_,C₇H₇NO₂

Issa, Nizar Barnett, Sarah A.Mohamed, Sharmarke Braun, Doris E.Copley, Royston C. B.Tocher, Derek A.Price, Sarah L.

CrystEngComm (2012) 14, 7 2454

a=9.5767(12)Å b=12.7646(17)Å c=13.9388(18)Å

α=90.00° β=90.758(2)° γ=90.00°

(2,2'-Bipyridine)(Succinic acid)

C₁₀H₈N_2,C₄H₆O₄

Issa, Nizar Barnett, Sarah A.Mohamed, Sharmarke Braun, Doris E.Copley, Royston C. B.Tocher, Derek A.Price, Sarah L.

CrystEngComm (2012) 14, 7 2454

a=8.958(3)Å b=5.1788(14)Å c=14.357(4)Å

α=90.00° β=106.109(4)° γ=90.00°

2(Phenazine)(4-Aminobenzoic acid)

2(C₁₂H₈N₂)_,C₇H₇NO₂

Issa, Nizar Barnett, Sarah A.Mohamed, Sharmarke Braun, Doris E.Copley, Royston C. B.Tocher, Derek A.Price, Sarah L.

CrystEngComm (2012) 14, 7 2454

a=15.557(2)Å b=17.056(3)Å c=19.782(3)Å

α=80.658(5)° β=78.559(7)° γ=77.168(6)°

2(Diphenylcyclopropenone)(Succinic Acid)

C₁₅H₁₀O_,0.5(C₄H₆O₄)

Issa, Nizar Barnett, Sarah A.Mohamed, Sharmarke Braun, Doris E.Copley, Royston C. B.Tocher, Derek A.Price, Sarah L.

CrystEngComm (2012) 14, 7 2454

a=14.654(4)Å b=5.5540(14)Å c=16.288(4)Å

α=90.00° β=90.471(4)° γ=90.00°

4-aminoquinaldine monohydrate

C₁₀H₁₀N_2,H₂O

Braun, Doris E.Oberacher, Herbert Arnhard, Kathrin Orlova, Maria Griesser, Ulrich J.

CrystEngComm (2016) 18, 22 4053

a=4.7832(5)Å b=12.0775(4)Å c=16.3371(5)Å

α=90.00000° β=92.226(3)° γ=90.00000°

Cytosine/5-flucytosine solid solution I

C₄H_4.359F_0.641N₃O₁

Braun, Doris Elfriede Griesser, Ulrich J.

CrystEngComm (2017)

a=4.00808(9)Å b=9.43931(11)Å c=13.0306(2)Å

α=90° β=91.179(2)° γ=90°

Cytosine/5-flucytosine solid solution I

C₄H_4.393F_0.607N₃O₁

Braun, Doris Elfriede Griesser, Ulrich J.

CrystEngComm (2017)

a=6.67372(5)Å b=6.67372(5)Å c=23.6290(3)Å

α=90° β=90° γ=90°

C₁₂H₁₀F₁₃N₂S_,I

Hummel, Michael Markiewicz, Marta Stolte, Stefan Noisternig, Michael Franz Braun, Doris Elfriede Gelbrich, Thomas Griesser, Ulrich J.Partl, Gabriel Julian Naier, Benjamin Florian Wurst, Klaus Krüger, Biljana Kopacka, Holger Laus, Gerhard Huppertz, Hubert Schottenberger, Herwig

Green Chem. (2017)

a=6.4269(3)Å b=8.9443(5)Å c=16.3677(9)Å

α=85.570(5)° β=81.795(4)° γ=86.766(5)°

C₁₂H₁₀F₁₃N₂S_1,Cl₁

Green Chem. (2017)

a=6.3654(4)Å b=9.2363(5)Å c=16.0361(12)Å

α=75.231(5)° β=83.709(5)° γ=76.855(5)°

2(C₁₂H₁₀F₁₃N₂S₁)_,SiF₆₂

Green Chem. (2017)

a=18.463(5)Å b=8.901(3)Å c=11.595(3)Å

α=90° β=102.185(9)° γ=90°

C₂₀H₁₃F₂₆IN₂S

Green Chem. (2017)

a=5.8881(3)Å b=10.2741(7)Å c=25.4810(10)Å

α=89.763(4)° β=87.419(4)° γ=77.726(3)°

C₁₂H₁₀F₁₃N₂S_1,C₈F₁₇I_,I₁

Green Chem. (2017)

a=6.4954(5)Å b=9.2039(8)Å c=27.9195(19)Å

α=94.848(6)° β=91.767(6)° γ=95.367(7)°

C₁₅H₁₅F₁₃N₂O₃S₂

Green Chem. (2017)

a=8.6657(2)Å b=10.1187(4)Å c=48.601(2)Å

α=90° β=90° γ=90°

4-aminoquinaldine form I

C₁₀H₁₀N₂

Braun, Doris E.Gelbrich, Thomas Kahlenberg, Volker Griesser, Ulrich J.

CrystEngComm / RSC (2015) 17, 12 2504-2516

a=5.2162(4)Å b=12.3693(9)Å c=13.1192(9)Å

α=90° β=99.065(3)° γ=90°

4-aminoquinaldine form II

C₁₀H₁₀N_2,C_0.08Cl_0.33

Braun, Doris E.Gelbrich, Thomas Kahlenberg, Volker Griesser, Ulrich J.

CrystEngComm / RSC (2015) 17, 12 2504-2516

a=28.4074(8)Å b=28.4074(8)Å c=11.9126(5)Å

α=90° β=90° γ=120°

Morphine

C₁₇H₁₉NO₃

Gelbrich, Thomas Braun, Doris E.Griesser, Ulrich J.

Acta Crystallographica Section E (2013) 69, 1 o2

a=7.6989(10)Å b=12.737(4)Å c=13.740(4)Å

α=90.00° β=90.00° γ=90.00°

Morphine hydrochloride anhydrate

C₁₇H₂₀NO_3,Cl

Gelbrich, Thomas Braun, Doris E.Griesser, Ulrich J.

Acta Crystallographica Section E (2012) 68, 12 o3358-o3359

a=7.3504(2)Å b=12.8524(5)Å c=16.0372(5)Å

α=90.00° β=90.00° γ=90.00°

3-(4-(benzo[d]isoxazole-3-yl)piperazin-1-yl)-2,2-dimethylpropanoic acid

C₁₆H₂₁N₃O₃

Braun, Doris E.McMahon, Jennifer A.Koztecki, Lien H.Price, Sarah L.Reutzel-Edens, Susan M.

Crystal Growth & Design (2014) 14, 4 2056

a=14.0905(3)Å b=6.25060(10)Å c=17.0170(3)Å

α=90° β=91.3210(10)° γ=90°

3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid

C₂₂H₂₅N₃O₃

Braun, Doris E.McMahon, Jennifer A.Koztecki, Lien H.Price, Sarah L.Reutzel-Edens, Susan M.

Crystal Growth & Design (2014) 14, 4 2056

a=9.3970(3)Å b=10.8925(3)Å c=11.0095(4)Å

α=65.728(2)° β=67.321(2)° γ=77.584(2)°

3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid

C₂₂H₂₅N₃O₃

Braun, Doris E.McMahon, Jennifer A.Koztecki, Lien H.Price, Sarah L.Reutzel-Edens, Susan M.

Crystal Growth & Design (2014) 14, 4 2056

a=9.2754(4)Å b=10.0504(5)Å c=11.8580(6)Å

α=106.010(4)° β=108.236(3)° γ=99.895(3)°

Creatine anhydrate B

C₄H₉N₃O₂

Braun, Doris E.Orlova, Maria Griesser, Ulrich J.

Crystal Growth & Design (2014) 14, 10 4895

a=5.4857(3)Å b=11.4417(4)Å c=9.9624(5)Å

α=90.00000° β=98.663(5)° γ=90.00000°

Creatine anhydrate form C

C₄H₉N₃O₂

Braun, Doris E.Orlova, Maria Griesser, Ulrich J.

Crystal Growth & Design (2014) 14, 10 4895

a=11.9504(3)Å b=5.3453(2)Å c=9.5314(3)Å

α=90.00000° β=90.00000° γ=90.00000°

Naproxen

C₁₄H₁₄O₃

Braun, Doris E.Ardid-Candel, Miguel D’Oria, Emiliana Karamertzanis, Panagiotis G.Arlin, Jean-Baptiste Florence, Alastair J.Jones, Alan G.Price, Sarah L.

Crystal Growth & Design (2011) 11, 12 5659

a=25.8301(13)Å b=15.4939(4)Å c=5.9465(2)Å

α=90° β=90° γ=90°

Beta resoryclic acid form I

C₇H₆O₄

Braun, Doris E.Karamertzanis, Panagiotis G.Arlin, Jean-Baptiste Florence, Alastair J.Kahlenberg, Volker Tocher, Derek A.Griesser, Ulrich J.Price, Sarah L.

Crystal growth & design (2011) 11, 1 210-220

a=23.1978(4)Å b=5.5469(1)Å c=5.1980(1)Å

α=90° β=92.215(1)° γ=90°

Beta resoryclic acid hemihydrate

2(C₇H₆O₄)_,H₂O

Braun, Doris E.Karamertzanis, Panagiotis G.Arlin, Jean-Baptiste Florence, Alastair J.Kahlenberg, Volker Tocher, Derek A.Griesser, Ulrich J.Price, Sarah L.

Crystal growth & design (2011) 11, 1 210-220

a=7.0270(4)Å b=9.5449(4)Å c=11.1763(5)Å

α=96.684(4)° β=104.319(5)° γ=98.903(4)°

Beta resoryclic DMSO hemisolvate

2(C₇H₆O₄)_,C₂H₆OS

Braun, Doris E.Karamertzanis, Panagiotis G.Arlin, Jean-Baptiste Florence, Alastair J.Kahlenberg, Volker Tocher, Derek A.Griesser, Ulrich J.Price, Sarah L.

Crystal growth & design (2011) 11, 1 210-220

a=6.39832(12)Å b=11.7099(3)Å c=23.2362(5)Å

α=90° β=90° γ=90°

Beta resoryclate pyridinium salt

C₇H₅O_4,C₅H₆N

Braun, Doris E.Karamertzanis, Panagiotis G.Arlin, Jean-Baptiste Florence, Alastair J.Kahlenberg, Volker Tocher, Derek A.Griesser, Ulrich J.Price, Sarah L.

Crystal growth & design (2011) 11, 1 210-220

a=11.7363(4)Å b=8.5691(2)Å c=11.8310(4)Å

α=90° β=115.973(5)° γ=90°

3,4,5-trihydroxybenzoic acid

C₇H₆O₅

Braun, Doris E.Bhardwaj, Rajni M.Florence, Alastair J.Tocher, Derek A.Price, Sarah L.

Crystal growth & design (2013) 13, 1 19-23

a=25.685(3)Å b=4.9273(5)Å c=11.2508(12)Å

α=90° β=106.234(2)° γ=90°

Gallic acid

C₇H₆O₅

Braun, Doris E.Bhardwaj, Rajni M.Florence, Alastair J.Tocher, Derek A.Price, Sarah L.

Crystal growth & design (2013) 13, 1 19-23

a=5.2303(1)Å b=5.26495(12)Å c=24.7927(4)Å

α=90° β=102.1116(17)° γ=90°

Gallic acid

C₇H₆O_5,H₂O

Braun, Doris E.Bhardwaj, Rajni M.Florence, Alastair J.Tocher, Derek A.Price, Sarah L.

Crystal growth & design (2013) 13, 1 19-23

a=7.60719(9)Å b=3.64133(4)Å c=26.7915(4)Å

α=90° β=98.4212(11)° γ=90°

Gallic acid

C₇H₆O₅

Braun, Doris E.Bhardwaj, Rajni M.Florence, Alastair J.Tocher, Derek A.Price, Sarah L.

Crystal growth & design (2013) 13, 1 19-23

a=7.31853(19)Å b=8.2536(2)Å c=11.7148(3)Å

α=100.4719(12)° β=90.2335(17)° γ=90.9844(17)°

Methyl paraben

C₈H₈O₃

Gelbrich, Thomas Braun, Doris E.Ellern, Arkady Griesser, Ulrich J.

Crystal growth & design (2013) 13, 3 1206-1217

a=4.8980(8)Å b=14.698(2)Å c=10.3341(16)Å

α=90.00° β=98.774(4)° γ=90.00°

Methyl paraben

C₈H₈O₃

Gelbrich, Thomas Braun, Doris E.Ellern, Arkady Griesser, Ulrich J.

Crystal growth & design (2013) 13, 3 1206-1217

a=17.517(5)Å b=7.2602(18)Å c=6.224(2)Å

α=90.00° β=107.61(3)° γ=90.00°

Methyl paraben

C₈H₈O₃

Gelbrich, Thomas Braun, Doris E.Ellern, Arkady Griesser, Ulrich J.

Crystal growth & design (2013) 13, 3 1206-1217

a=5.9845(6)Å b=8.3384(6)Å c=14.4209(12)Å

α=90.00° β=96.526(9)° γ=90.00°

1,3,5-trihydroxybenzene

C₆H₆O₃

Braun, Doris E.Bhardwaj, Rajni M.Arlin, Jean-Baptiste Florence, Alastair J.Kahlenberg, Volker Griesser, Ulrich J.Tocher, Derek A.Price, Sarah L.

Crystal growth & design (2013) 13, 9 4071-4083

a=12.1207(6)Å b=3.80651(13)Å c=13.1647(6)Å

α=90° β=115.478(6)° γ=90°

Pyrogallol_tetartohydrate

4(C₆H₆O₃)_,H₂O

Braun, Doris E.Bhardwaj, Rajni M.Arlin, Jean-Baptiste Florence, Alastair J.Kahlenberg, Volker Griesser, Ulrich J.Tocher, Derek A.Price, Sarah L.

Crystal growth & design (2013) 13, 9 4071-4083

a=24.6058(6)Å b=24.6058(6)Å c=3.8524(3)Å

α=90° β=90° γ=90°