Zeitschrift für Kristallographie - New Crystal Structures

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Volume 232, Issue 2

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Zeitschrift für Kristallographie - New Crystal Structures

Contents

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Cover and Frontmatter

March 14, 2017

Page range: i-vi

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Open Access
The crystal structure of triphenylphosphineoxide – 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione (2/1), C₄₂H₃₂Cl₂O₆P₂

February 10, 2017

Alebel N. Belay, Johan A. Venter, Andreas Roodt

Page range: 163-164

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C 42 H 32 Cl 2 O 6 P 2 , P 1̅ (no. 2), a = 8.4669(12) Å, b = 9.7245(14) Å, c = 12.2425(17) Å, α = 69.887(6)°, β = 77.758(6)°, γ = 74.915(6)°, V = 905.5(2) Å 3 , Z = 1, R gt ( F ) = 0.0295, wR ref ( F 2 ) = 0.0850, T = 100 K.
Open Access
Crystal structure of poly-[diaqua-[bis(μ₂-hydroxy)-bis(μ₄-3,4,5,6-tetrachlorophthalato-κ³O,O′:O′; κ²O′′:O′′′)dilanthanum(III)], C₈H₃Cl₄LaO₆

December 21, 2016

Fa-Xue Ma, Dan Zhao, Rui-Juan Zhang

Page range: 165-166

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C 8 H 3 Cl 4 LaO 6 , monoclinic, P 2 1 / n (no. 14), a = 6.6874(10) Å, b = 6.0956(9) Å, c = 30.281(4) Å, β = 91.094(3)°, V = 1234.1(3) Å 3 , Z = 4, R gt ( F ) = 0.048, wR ref ( F 2 ) = 0.143, T = 296(2) K.
Open Access
Crystal structure of 1,1′-(3,4-diphenylthieno[2,3-b]thiophene-2,5-diyl)bis[1-phenyl-methanone], C₃₂H₂₀O₂S₂

January 18, 2017

Rashid Altamimi, Hazem A. Ghabbour, Fahad Aldawsari, Obaid S. AlRuqi, Nasser Alqahtani

Page range: 167-169

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C 32 H 20 O 2 S 2 , monoclinic, P 2 1 / c (no. 14), a = 10.2763(8) Å, b = 19.9178(15) Å, c = 11.8597(10) Å, β = 92.828(3)°, V = 2424.3(3) Å 3 , Z = 4, R gt ( F ) = 0.069, wR ( F 2 ) = 0.1782, T = 293(2).
Open Access
Crystal structure of 4a-hydroxy-9-(3,5-dibromo-phenyl)-3,4,4a,5,6,7,9,9a-octahydro-2H-xanthene-1,8-dione, C₁₉H₁₈Br₂O₄

January 6, 2017

Jing Li, Weiwei Zhou, Feng Sui

Page range: 171-172

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C 19 H 18 Br 2 O 4 , monoclinic, P 2 1 / n (no. 14), a = 14.323(3) Å, b = 7.6704(17) Å, c = 17.112(4) Å, β = 111.948(4)°, V = 1743.7(7) Å 3 , Z = 4, R gt ( F ) = 0.0530, wR ref ( F 2 ) = 0.1219, T = 296(2) K.
Open Access
Crystal structure of 5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinyldecahydro-3a,9-propanocyclopenta[8]annulen-8-yl 2-((2-methyl-1-(3-methylbenzamido)propan-2-yl)thio)acetate, C₃₄H₄₉NO₅S

December 17, 2016

Guirong Wang, Fengwu Zhao

Page range: 173-176

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C 34 H 49 NO 5 S, monoclinic, P 2 1 (no. 4), a = 14.4605(4) Å, b = 9.9703(4) Å, c = 22.7599(7) Å, β = 94.799(3) Å; V = 3269.90 Å 3 , Z = 4, R gt ( F ) = 0.0638, wR ref ( F 2 ) = 0.1482, T = 293 K.
Open Access
Crystal structure of pyridinium bis(naphthalane-2,3-diolato-κ²O,O′)borate monohydrate, C₂₅H₂₀BNO₅

January 28, 2017

Mustafa Tombul, Kutalmış Güven, Ingrid Svoboda, Hartmut Fuess

Page range: 177-179

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C 25 H 20 BNO 5 , triclinic, P 1̅ (no. 2), a = 7.0868(6) Å, b = 10.3522(6) Å, c = 15.3140(10) Å, α = 74.088(7)°, β = 89.996(7)°, γ = 79.190(1)°, V = 1059.71(13) Å 3 , Z = 2, R gt ( F ) = 0.0445, wR ref ( F 2 ) = 0.1105, T = 298 K.
Open Access
Crystal structure of 1,1′-((1E,1′E)-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(azanylylidene))bis(methanylylidene))bis(naphthalen-2-olato)nickel(II), C₇₂H₅₂N₄O₈Ni₂

December 17, 2016

Guo qiang Li, Run lan Fan, Die er He, Qiang Xu

Page range: 181-183

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C 72 H 52 N 4 O 8 Ni 2 , monolinic, C 2/ c (no. 15), a = 43.017(19) Å, b = 17.091(8) Å, c = 11.301(5) Å, β = 103.053(8)°, V = 8094(6) Å 3 , Z = 6, R gt ( F ) = 0.0575, wR ref ( F 2 ) = 0.1263, T = 296(2) K.
Open Access
The crystal structure of 3-(2-acetyl-4-butyramido-phenoxy)-2-hydroxy-N-isopropylpropan-1-aminium tetraphenylborate, C₄₂H₄₉BN₂O₄

February 10, 2017

Hazem A. Ghabbour, Gamal A.E. Mostafa

Page range: 185-187

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C 42 H 49 BN 2 O 4 , monoclinic, P 2 1 / c (no. 14), a = 12.5346(5) Å, b = 23.4973(9) Å, c = 12.9077(5) Å, β = 91.178(1)°, V = 3800.9(3) Å 3 , Z = 4, R gt (F) = 0.075, wR ref (F 2 ) = 0.225, T = 293 K.
Open Access
Crystal structure of 4-bromobenzyl (Z)-N′-(adamantan-1-yl)-4-phenylpiperazine-1-carbothioimidate, C₂₈H₃₄BrN₃S

February 10, 2017

Lamya H. Al-Wahaibi, Hanan M. Hassan, Amal M. Abo-Kamar, Hazem A. Ghabbour, Ali A. El-Emam

Page range: 189-191

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C 28 H 34 BrN 3 S, monoclinic, P 2 1 / c (no. 14), a = 10.4529(8) Å, b = 11.8724(10) Å, c = 21.3800(19) Å, β = 101.864(3)°, V = 2596.6(4) Å 3 , Z = 4, R gt ( F ) = 0.060, wR ref ( F 2 ) = 0.148, T = 296(2).
Open Access
Crystal structure of poly-[(μ₆-benzene-1,2,4,5-tetracarboxylato)-(μ₂-1,2-bis(imidazol-1-ylmethyl)benzene)dicobalt(II)], Co₂C₂₄H₁₆N₄O₈

February 25, 2017

Ping Liu, Qiuxia Liu, Ning Zhao, Caixia An, Zhaoxun Lian

Page range: 193-195

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Co 2 C 24 H 16 N 4 O 8 , triclinic, P 1̅ (no. 2), a = 7.3859(13) Å, b = 9.5719(17) Å, c = 16.442(3) Å, α = 77.450(3)°, β = 85.065(3)°, γ = 84.844(3)°, V = 1127.4(3) Å 3 , Z = 2, R gt (F) = 0.0457, w R ref (F 2 ) = 0.1058, T = 296(2) K.
Open Access
Crystal structure of catena-(bis(μ₂-1, 2-bis(imidazole-1-ylmethyl)benzene-κN:N′)-dichlororido-nickel(II)), C₂₈H₂₈C_l2N₈Ni

February 15, 2017

Ping Liu, Qiuxia Liu, Ning Zhao, Caixia An, Zhaoxun Lian

Page range: 197-198

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C 28 H 28 C l2 N 8 Ni, monoclinic, P 2 1 / c , a = 8.521(5) Å, b = 10.255(6)) Å, c = 15.414(9) Å, β = 91.209(9)°, V = 1346.6(13) Å 3 , Z = 2, R gt ( F ) = 0.0360, wR ref ( F 2 ) = 0.0916, T = 296(2) K.
Open Access
Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-one, C₁₅H₁₆N₂O₃

December 21, 2016

Smaail Radi, Said Tighadouini, Driss Eddike, Monique Tillard, Yahia N. Mabkhot

Page range: 199-200

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C 15 H 16 N 2 O 3 , monoclinic, P 2 1 / c (no. 14), a = 11.223(2) Å, b = 11.9339(5) Å, c = 11.945(2) Å, β = 117.43(2)°, V = 1419.9(5) Å 3 , Z = 4, R gt ( F ) = 0.0528, wR ref ( F 2 ) = 0.1346, T = 300(2) K.
Open Access
Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxy-3-phenylprop-2-en-1-one, C₁₄H₁₄N₂O₂

December 17, 2016

Radi Smaail, Said Tighadouini, Driss Eddike, Monique Tillard, Yahia N. Mabkhot

Page range: 201-202

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C 14 H 14 N 2 O 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 5.6736(2) Å, b = 7.7803(4) Å, c = 28.7821(13) Å, V = 1270.5(1) Å 3 , Z = 4, R gt ( F ) = 0.0454, wR ref ( F 2 ) = 0.0879, T = 298 K.
Open Access
Crystal structure of (E)-2-(4-hydroxy-3-methoxybenzylidene)-6-methoxy-3,4-dihydronaphthalen-1(2H)-one, C₁₉H₁₈O₄

December 15, 2016

Nahed N.E. El-Sayed, Norah M. Almaneai, Hazem A. Ghabbour, Ahmed M. Alafeefy

Page range: 203-205

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C 19 H 18 O 4 , orthorhombic, Pbcn , a = 21.1472(8) Å, b = 9.7978(4) Å, c = 14.5181(6) Å, V = 3008.1(2) Å 3 , Z = 8, R gt ( F ) = 0.0520, wR ref ( F 2 ) = 0.1194, T = 100(2).
Open Access
Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-(4-ethoxyphenyl)-3-hydroxyprop-2-en-1-one, C₁₆H₁₈N₂O₃

December 21, 2016

Smaail Radi, Said Tighadouini, Driss Eddike, Monique Tillard, Yahia N. Mabkhot

Page range: 207-208

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C 16 H 18 N 2 O 3 , orthorhombic , Pca 2 1 (no. 29), a = 14.3074(1) Å, b = 8.5321(1)Å, c = 12.2534(2)Å, V = 1495.8(4)Å 3 , Z = 4, R gt ( F ) = = 0.071, wR ref ( F 2 ) = 0.1266, T = 302 K.
Open Access
Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxy-3-(p-toly)prop-2-en-1-one, C₁₅H₁₆N₂O₂

January 11, 2017

Smaail Radi, Said Tighadouini, Driss Eddike, Monique Tillard, Yahia N. Mabkhot

Page range: 209-210

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C 15 H 16 N 2 O 2 , monoclinic, P 2 1 / c (no. 14), a = 10.8334(5) Å, b = 11.7225(5) Å, c = 12.6861(6) Å, β = 123.417(5)°, V = 1344.73(1) Å 3 , Z = 4, R gt ( F ) = 0.0607 , wR ref ( F 2 ) = 0.1662, T = 297 K.
Open Access
Crystal structure of 1-acetyl-3-(3-chlorophenyl)-5-(4-isopropylphenyl)-4,5-dihydro-(1H)-pyrazole, C₂₀H₂₁ClN₂O

December 17, 2016

Kai-Xin Zhang, Meng-Ya Dong, Xiang-Dong Mei, Yao-Fa Li, Tao Zhang, Dong-Mei She, Wen-Liang Pan, Zhan-Lin Gao, Jun Ning

Page range: 211-212

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C 20 H 21 ClN 2 O, monoclinic, P 2 1 / n (no. 14), a = 13.3888(15) Å, b = 9.6869(10) Å, c = 13.7238(17) Å, β = 96.445(12)°, V = 1768.7(4) Å 3 , Z = 4, R gt ( F ) = 0.0497, wR ref ( F 2 ) = 0.1153, T = 180.01(10) K.
Open Access
The crystal structure of 1-methyl-2,4-dinitro-5-iodoimidazole, C₄H₃IN₄O₄

January 11, 2017

Chen Lizhen, Lian Pengbao, Wang Jianlong

Page range: 213-214

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C 4 H 3 IN 4 O 4 , orthorhombic, Pbca (no. 61), a = 9.9513(6) Å, b = 11.3365(4) Å, c = 14.3295(12) Å, V = 1616.55(17) Å 3 , Z = 8, R gt ( F ) = 0.0279, wR ref ( F 2 ) = 0.0684, T = 105.6 K.
Open Access
The crystal structure of 4-chloro-3,5-dinitroaniline, C₆H₄ClN₃O₄

February 25, 2017

Wang Jianlong, Zhang Tianbei, Chen Lizhen

Page range: 215-216

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C 6 H 4 ClN 3 O 4 , monoclinic, Cc (no. 9), a = 14.1945(7) Å, b = 8.1107(3) Å, c = 15.3834(6) Å, β = 115.472(6)°, V = 1598.90(12) Å 3 , Z = 8, R gt ( F ) = 0.0269, wR ref ( F 2 ) = 0.0669, T = 105.6 K.
Open Access
Crystal structure of N,N-dimethyl-N′-(2-methyl-4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)formimidamide, C₁₄H₁₈N₄OS

January 20, 2017

Nada Al-Jaeed, Siham Lahsasni, Hazem A. Ghabbour, Nahed N. E. El-Sayed

Page range: 217-219

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C 14 H 18 N 4 OS, monoclinic, P 2 1 / c (no. 14), a = 15.479(4) Å, b = 13.203(3) Å, c = 7.3147(17) Å, β = 99.385(7)°, V = 1474.9(6) Å 3 , Z = 4, R gt ( F ) = 0.070, wR ref ( F 2 ) = 0.197, T = 296(2).
Open Access
Crystal structure of tetrakis(μ₂-acetato-κ²O:O′)-bis[μ₃-4-chloro-2,6-bis((methylimino)methyl)phenolato-κ²N,O:O,N′]-(μ₄-oxido)tetracopper(II), C₂₈H₃₂Cl₂Cu₄N₄O₁₁

December 17, 2016

Ling Ma, Daoli An, Liping Lu

Page range: 221-223

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C 28 H 32 Cl 2 Cu 4 N 4 O 11 , triclinic, P 1̅ (no. 2), a = 9.115(3) Å, b = 12.769(4) Å, c = 14.870(5) Å, α = 93.796(5)°, β = 93.548(5)°, γ = 91.917(5)°, V = 1722.2(10) Å 3 , Z = 2, R gt ( F ) = 0.0303, ω R ref (F 2 ) = 0.082, T = 298 K.
Open Access
Crystal structure of catena-poly[diaqua-bis(μ₂-ethane-1,2-diyl-bis(pyridine-3-carboxylate-κ²N:N′))copper(II)] dinitrate, C₂₈H₂₈CuN₆O₁₆

January 11, 2017

Iván Brito, Alejandro Cárdenas, Michael Bolte, Jaime Llanos

Page range: 225-226

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C 28 H 28 CuN 6 O 16 , triclinic, P 1̅, (no. 2), a = 7.3118(7) Å, b = 10.0597(8) Å, c = 11.2579(10) Å, α = 92.109(7)°, β = 105.804(7)°, γ = 98.416(7)°, V = 785.63(12)Å 3 , Z = 1, R gt (F) = 0.042, w R ref (F 2 ) = 0.095, T = 173(2) K.
Open Access
Synthesis and crystal structure of catena-poly[(μ₂-nicotinato-κ²O,O′: κ¹N)-(nitrato-κ¹O)-(bis(2-benzimidazol-ylmethyl)amine-κ³N,N′,N′′)lead(II)], C₂₂H₁₈N₇O₅Pb

February 10, 2017

Yan-hui Jia, Fang-Fang Huang, Mei-Hong Peng, Feng-Mei Nie

Page range: 227-229

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C 22 H 18 N 7 O 5 Pb, triclinic, P 1̅ (no. 2), a = 7.7446(17) Å, b = 16.914(3) Å, c = 17.726(3) Å, α = 72.451(6)°, β = 86.900(6)°, γ = 88.098(7)°, V = 2210.3(7) Å 3 , Z = 4, R gt ( F ) = 0.0379, wR ref ( F 2 ) = 0.0751, T = 153 K.
Open Access
The twinned crystal structure of (4SR)-7-benzyl-2,4,8,8-tetramethyl-7,8-dihydroimidazo[5,1-c][1,2,4]triazine-3,6(2H,4H)-dione, C₁₆H₂₀N₄O₂

January 7, 2017

Nikolay T. Tzvetkov, Beate Neumann, Hans-Georg Stammler

Page range: 231-233

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C 16 H 20 N 4 O 2 , triclinic, P 1̅ (no. 2), a = 9.0959(5) Å, b = 9.1993(5) Å, c = 18.5825(9) Å, α = 100.534(4)°, β = 94.120(4)°, γ = 94.752(4)°, V = 1517.44(13) Å 3 , Z = 4, R gt ( F ) = 0.0801, wR ref ( F 2 ) = 0.2371, T = 100(1) K.
Open Access
Crystal structure of (Z)-3-hydroxy-3-(4-methoxyphenyl)-1-(pyridin-2-yl)prop-2-en-1-one, C₁₅H₁₃NO₃

January 18, 2017

Smaail Radi, Said Tighadouini, Driss Eddike, Yahia N. Mabkhot, Monique Tillard

Page range: 235-236

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C 15 H 13 NO 3 , monoclinic, Cc (No. 9), a = 3.9230(3) Å, b = 26.578(2) Å, c = 11.7147(12) Å, β = 94.028(8)°, V = 1218.4(2) Å 3 , Z = 4, R gt ( F ) = 0.0387, wR ref ( F 2 ) = 0.0877, T = 173 K.
Open Access
Crystal structure of 2-amino-4-(2,3-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C₁₆H₁₂Cl₂N₂O₂

February 7, 2017

Jing He

Page range: 237-238

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C 16 H 12 Cl 2 N 2 O 2 , orthorhombic, P 2 1 2 1 2 1 (no. 19), a = 6.0741(4) Å, b = 14.9623(8) Å, c = 16.2178(9) Å, V = 1473.91(15) Å 3 , Z = 4, R gt ( F ) = 0.0376, wR ref ( F 2 ) = 0.0918, T = 293(2) K.
Open Access
Crystal structure of catena-poly[(μ₂-butane-1,4-diyl-bis(pyridine-3-carboxylato-κN))silver(I)] tetrafluoroborate, C₁₆H₁₆AgN₂O₄BF₄

January 20, 2017

Iván Brito, Alejandro Cárdenas, Michael Bolte, Jaime Llanos, Fernando Cataldo

Page range: 239-240

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C 16 H 16 AgN 2 O 4 BF 4 , monoclinic, C 2/ c (no. 15), a = 17.416(2) Å, b = 13.1378(14) Å, c = 7.8246(10) Å, β = 96.566(10)°, V = 1778.6(4) Å 3 , Z = 4, R gt (F) = 0.025, w R ref (F 2 ) = 0.065, T = 173(2) K.
Open Access
Crystal structure of poly[diaqua-(1,10-phenanthroline-κ²N,N′)-(μ₂-2,5-dihydroxytere-phthalato)-bis(μ₄-2,5-dihydroxyterephthalato)dicerium(III)], C₂₄H₁₆CeN₂O₁₀

February 7, 2017

Li-Ting Zhao, Ya-Nan Wei, Chuan-Bi Li, Xian-Shi Song, Jia-Run Li

Page range: 241-243

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C 24 H 16 CeN 2 O 10 , triclinic, P 1̅ (no. 2), a = 9.7971(9) Å, b = 9.9998(9) Å, c = 12.2287(12) Å, α = 109.559(10)°, β = 92.598(2)°, γ = 95.385(2)°, V = 1120.15(18) Å 3 , Z = 2, R gt ( F ) = 0.0346, wR ref ( F 2 ) = 0.0909, T = 296 K.
Open Access
Crystal structure of 5,7,4′-trihydroxy-3,8,3′-trymethoxyflavone, C₁₈H₁₆O₈

February 7, 2017

Iván Brito, Mario L. Simirgiotis, Leyla Pasten, Rubén Muñoz, Jorge Bórquez, Alejandro Cárdenas

Page range: 245-247

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C 18 H 16 O 8 , monoclinic, P 2 1 / n , (no. 14), a = 7.9253(3) Å, b = 16.8928(6) Å, c = 11.8439(5) Å, β = 92.387(2)°, V = 1584.29(11) Å 3 , Z = 4, R gt (F) = 0.043, w R ref (F 2 ) = 0.102, T = 295(2) K.
Open Access
Crystal structure of N-(3,4-dichlorobenzylidene)-4-methylaniline, C₁₄H₁₁Cl₂N

February 7, 2017

Hua Yuan, Chunni Chen, Linyan Wang

Page range: 249-250

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C 14 H 11 Cl 2 N, monoclinic, P 2 1 / c (no. 14), a = 6.1494(3) Å, b = 14.4196(5) Å, c = 14.2686(8) Å, β = 97.055(5)°, V = 1255.64(10) Å 3 , Z = 4, R gt ( F ) = 0.0347, wR ref ( F 2 ) = 0.0894, T = 290 K.
Open Access
Crystal structure of 4-(3-Methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid ethyl ester, C₂₂H₂₇NO₄

February 7, 2017

Jiangtao Li

Page range: 251-252

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C 22 H 27 NO 4 , triclinic, P 1̅ (no. 2), a = 7.468(3) Å, b = 9.442(3) Å, c = 14.134(5) Å, α = 82.725(5)°, β = 84.077(5)°, γ = 72.585(5)°, V = 941.0(5) Å 3 , Z = 2, R gt ( F ) = 0.0727, wR ref ( F 2 ) = 0.1796, T = 296(2) K.
Open Access
Crystal structure of 2-amino-4-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, C₁₆H₁₃FN₂O₂

January 28, 2017

Yunhui Zhai, Ruijuan Song

Page range: 253-254

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C 16 H 13 FN 2 O 2 , triclinic, P 1̅ (no. 2), a = 8.7809(6) Å, b = 8.7912(6) Å, c = 10.0170(7) Å, α = 72.048(7)°, β = 74.395(6)°, γ = 75.377(6)°, V = 696.26(8) Å 3 , Z = 2, R gt ( F ) = 0.0457, wR ref ( F 2 ) = 0.1594, T = 293(2) K.
Open Access
Crystal structure of 1,1,(3,4-dihydroxythieno[2,3-b] thiophene-2,5-diyl)bis(2-bromoethanone), C₁₀H₆Br₂O₄S₂

January 20, 2017

Yahia N. Mabkhot, Faiz A. Al-aizari, Salim Al-Showiman, Assem Barakat, Hazem A. Ghabbour, Wolfgang Frey

Page range: 255-256

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C 10 H 6 Br 2 O 4 S 2 , monoclinic, P 2 1 / c (no. 14), a = 8.1199(6) Å, b = 10.4430(8) Å, c = 15.4252(13) Å, β = 96.309(3)°, V = 1300.08(18) Å 3 , Z = 4, R gt ( F ) = 0.0549, wR ref ( F 2 ) = 0.1304, T = 100 K.
Open Access
The crystal structure of N,N′-(4,4′-oxydibenzyl)-bisisonicotinamide 3.5 hydrate, C₂₄H₂₄N₄O₆

February 7, 2017

Iván Brito, Alejandro Cárdenas, Michael Bolte

Page range: 257-259

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C 24 H 24 N 4 O 6 , monoclinic, P 2 1 / n (no. 14), a = 18.9759(19) Å, b = 14.0764(13) Å, c = 19.2072(19) Å, β = 116.836(7)°, V = 4577.9(8) Å 3 , Z = 8, R gt ( F ) = 0.077, wR ref ( F 2 ) = 0.206, T = 173(2) K.
Open Access
Crystal structure of catena-poly[hexakis(μ₂-chlorido)-hexakis(4-(1H-pyrazol-5-yl)pyridine-κN)tricadmium(II)], Cd₃C₄₈H₄₂Cl₆N₁₈

March 2, 2017

Chang Xin-Hong, Li Shi-Hui, Du De-Guang

Page range: 261-263

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Cd 3 C 48 H 42 Cl 6 N 18 , monoclinic, C 2/ c (no. 15), a = 11.4564(7) Å, b = 21.1547(15) Å, c = 21.3475(13) Å, β = 95.192(5)°, V = 5152.5(6) Å 3 , Z = 4, R gt ( F ) = 0.0381, wR ref ( F 2 ) = 0.1152, T = 293(2) K.
Open Access
Crystal structure of 2-(4-(dimethylamino)phenyl)-1,3-dimethyl-1H-perimidin-3-ium iodide, C₂₁H₂₂I₁N₃

February 15, 2017

Xian-You Yuan, Min Zhang, Zhong-Yan Li, Lin Yuan

Page range: 265-266

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C 21 H 22 I 1 N 3 , monoclinic, C 2/ c , a = 21.829(7) Å, b = 10.741(3) Å, c = 17.564(5) Å, β = 109.446(3)°, V = 3883(2) Å 3 , Z = 8, R gt ( F ) = 0.0260, wR ref ( F 2 ) = 0.0687, T = 296(2) K.
Open Access
Crystal structure of 4-(1,3-dimethyl-2,3-dihydro-1H-perimidin-2-yl)benzonitrile, C₂₀H₁₇N₃

February 25, 2017

Min Zhang, Lin Yuan, Xian-You Yuan, Zhong-Yan Li

Page range: 267-268

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C 20 H 17 N 3 , orthorhombic, Pnma , a = 11.371(11) Å, b = 12.144(12) Å, c = 11.718(11) Å, V = 1618(3) Å 3 , Z = 4, R gt ( F ) = 0.0443, wR ref ( F 2 ) = 0.1373, T = 296(2) K.
Open Access
Crystal structure of tetrakis(μ₂-acetato-κ²O:O′)-bis(2,2′-sulfonyldipyrazine-κ¹N)dicopper(II), C₂₄H₂₄Cu₂N₈O₁₂S₂

February 17, 2017

Hong Qiang, Guo-Wei Xiao, Xin-Zhan Sun

Page range: 269-270

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C 24 H 24 Cu 2 N 8 O 12 S 2 , monoclinic, P 2 1 / c (no. 14), a = 10.4668(12) Å, b = 10.1315(12) Å, c = 14.9315(17) Å, β = 94.608(5)°, V = 1578.3(3) Å 3 , Z = 2, R gt ( F ) = 0.0268, wR ref ( F 2 ) = 0.0796, T = 296 K.
Open Access
Crystal structure of 1-(4-chlorophenyl)-6,8-diphenyl-1H-pyrazolo[4,3-c]quinoline, C₂₈H₁₈ClN₃

February 10, 2017

Marole M. Maluleka, Malose J. Mphahlele

Page range: 271-272

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C 28 H 18 ClN 3 , monoclinic, P 2 1 / c , (no. 14) a = 5.9519(2) Å, b = 8.0511(3) Å, c = 43.4071(14) Å, β = 90.001(2)°, V =2080.04(12) Å 3 , Z = 4, R gt (F) = 0.066, wR ref (F 2 ) = 0.190, T = 173 K.
Open Access
Crystal structure of methyl 3-((1-(2-(methoxycarbonyl)benzyl)-1H-1,2,3-triazol-4-yl)methoxy)-2-naphthoate, C₂₄H₂₁N₃O₅

March 2, 2017

Xiaoli Tan, Wei Hong, Meiyi Wang, Hao Wang

Page range: 273-274

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C 24 H 21 N 3 O 5 , monoclinic, P 2 1 / n (no. 14), a = 5.8731(6) Å, b = 12.4675(10) Å, c = 28.912(3) Å, β = 90.271(7)°, V = 2117.0(3)Å 3 , Z = 4, R gt ( F ) = 0.0797, wR ref ( F 2 ) = 0.1733, T = 293.23(10) K.
Open Access
Crystal structure of (tris(2-pyridylmethyl)amine-κ⁴N,N′,N′′,N′′′′)-chloranilato-κO,O′-zinc(II) – methanol (1/1), C₂₅H₂₂Cl₂N₄O₅Zn

February 25, 2017

Zhao Yun, Xu Lu, Zhang Li-Fang

Page range: 275-277

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C 25 H 22 Cl 2 N 4 O 5 Zn, monoclinic, P 2 1 / c (no. 14), a = 16.302(3) Å, b = 11.324(2) Å, c = 14.636(3) Å, β = 111.43(3)°, V = 2515.1(9) Å 3 , Z = 4, R gt ( F ) = 0.0511, wR ref ( F 2 ) = 0.1109, T = 123(2) K.
Open Access
Crystal structure of 1,1-dimethyl-3-(4-methoxyphenyl)urea, C₁₀H₁₄N₂O₂

January 20, 2017

Gamal A. El-Hiti, Keith Smith, Mohammed B. Alshammari, Amany S. Hegazy, Benson M. Kariuki

Page range: 279-281

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C 10 H 14 N 2 O 2 , monoclinic, P 2 1 /c (no. 14), a = 14.9185(12) Å, b = 7.7243(6) Å, c = 9.2229(5) Å, β = 91.032(6)°, V = 1062.63(13) Å 3 , Z = 4, T = 293(2) K.
Open Access
Crystal structure of 4a-Hydroxy-9-(2-nitro-phenyl)-3,4,4a,5,6,7,9,9a-octahydro-2H-xanthene-1,8-dione, C₁₉H₁₉NO₆

February 14, 2017

Jiangtao Li

Page range: 283-284

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C 19 H 19 NO 6 , triclinic, P 1̅ (no. 2), a = 7.009(3) Å, b = 8.081(3) Å, c = 15.218(8) Å, α = 101.973(9)°, β = 99.137(10)°, γ = 102.164(7)°, V = 805.5(6) Å 3 , Z = 2, R gt ( F ) = 0.0520, wR ref ( F 2 ) = 0.1271, T = 296(2) K.
Open Access
Crystal structure of chlorido-(η⁶–1-isopropyl-4-methyl benzene)-(1-(pyridin-2-yl)-N-(p-tolyl)methanimine-κ²N,N′)ruthenium(II) hexafluorophosphate(V), C₂₃H₂₆ClF₆N₂PRu

February 10, 2017

Joel M. Gichumbi, Holger B. Friedrich, Bernard Omondi

Page range: 285-287

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C 23 H 26 ClF 6 N 2 PRu, triclinic, P 1̅ (no. 2), a = 8.9950(6) Å, b = 11.1669(8) Å, c = 12.4128(9) Å, α = 80.520(2)°, β = 87.5360(10)°, γ = 86.3200(10)°, V = 1226.59(15) Å 3 , Z = 2, R gt ( F ) = 0.0267, wR ref ( F 2 ) = 0.0622, T = 173(2) K.
Open Access
Crystal structure of phenyl(2-phenyl-2,3-dihydro-1H-perimidin-2-yl)methanone, C₂₄H₁₈N₂O

February 25, 2017

Craig D. Grimmer

Page range: 289-290

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C 24 H 18 N 2 O, monoclinic, P 2 1 / n (no. 14), a = 5.9227(7) Å, b = 16.462(2) Å, c = 18.150(2) Å, β = 98.372(2)°, V = 1750.8(4) Å 3 , Z = 4, R gt ( F ) = 0.0353, wR ref ( F 2 ) = 0.0942, T = 100(2) K.
Open Access
Crystal structure of (E)-3-methyl-4-((3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-1-phenyl-1H-pyrazol-5(4H)-one, C₂₉H₂₃N₇O

January 28, 2017

Gamal A. El-Hiti, Bakr F. Abdel-Wahab, Mohammed B. Alshammari, Amany S. Hegazy, Benson M. Kariuki

Page range: 291-293

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C 29 H 23 N 7 O, triclinic, P 1̅ (no. 2), a = 8.2785(12) Å, b = 12.1750(18) Å, c = 13.8122(16) Å, α = 114.401(13)°, β = 103.083(11)°, γ = 93.384(12)°, V = 1216.5(3)Å 3 , Z = 2, R gt ( F ) = 0.0713, wR ref ( F 2 ) = 0.1880, T = 293(2) K.
Open Access
Crystal structure of 2-(4-(2-butyl-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl)piperazin-1-yl)-2-oxoethyldiethylcarbamodithioate, C₂₇H₃₄N₄O₃S₂

March 2, 2017

Ya-Tong Liu, Lei Kang, Na-Na Li, Zhi-Yong Xing

Page range: 295-296

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C 27 H 34 N 4 O 3 S 2 , monoclinic, P 2 1 / c (no. 14), a = 17.7267(7) Å, b = 10.5415(5) Å, c = 14.1637(4) Å, β = 91.644(3)°, V = 2645.62(18) Å 3 , Z = 4, R gt ( F ) = 0.0620, wR ref ( F 2 ) = 0.2008, T = 293(2) K.
Open Access
Crystal structure of poly-[diaqua-bis(μ-4,4′-bipyridine-κ²N:N′)cobalt(II)] bis(4-chlorobenzenesulfonate) – 4,4′-bipyridine – water (1/1/2), C₄₂H₄₀Cl₂CoN₆O₁₀S₂

February 25, 2017

Zheng-Jun Liu, Xiao-Miao Chen, Tao-Li Deng

Page range: 297-299

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C 42 H 40 Cl 2 CoN 6 O 10 S 2 , monoclinic, C 2/ c , a = 17.447(6) Å, b = 11.467(4) Å, c = 22.691(4) Å, β = 108.31(5)°, V = 4310(2) Å 3 , Z = 4, R gt ( F ) = 0.0341, wR ref ( F 2 ) = 0.0921, T = 296 K.
Open Access
Crystal structure of (η⁶-benzene)-(N-(2,6-dimethylphenyl)-1-(pyridin-2-yl)methanimine-κ²N,N′)ruthenium(II) perchlorate monohydrate, C₂₀H₂₀Cl₂N₂O₅Ru

March 2, 2017

Joel M. Gichumbi, Bernard Omondi, Holger B. Friedrich

Page range: 301-303

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C 20 H 20 Cl 2 N 2 O 5 Ru, monoclinic, P 1̅ (no. 2), a = 8.7921(2) Å, b = 11.2515(3) Å, c = 11.7014(3) Å, α = 103.752(1)°, β = 107.296(1)°, γ = 98.562(1)°, V = 1043.01(5) Å 3 , Z = 2, R gt ( F ) = 0.0198, wR ref ( F 2 ) = 0.0553, T = 173 K.
Open Access
Crystal structure of 4,10,16,22-tetrahydroxy-6,12,18,24-tetramethoxy-2,8,14,20-tetraethylphenylresorcin[4]arene – ethyl acetate (1/1), C₆₈H₇₂O₁₀

March 2, 2017

Marivel Samipillai, Thavendran Govender, Hendrik G. Kruger, Glenn E. M. Maguire

Page range: 305-307

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C 68 H 72 O 10 , triclinic, P 1̅ (no. 2), a = 13.3619(4) Å, b = 13.9234(4) Å, c = 16.6975(5) Å, α = 96.023(2)°, β = 104.537(1)°, γ = 105.625(1)°, V = 2845.85(15) Å 3 , Z = 2, R gt ( F ) = 0.0491, wR ref ( F 2 ) = 0.1311, T = 173 K.
Open Access
Crystal structure of chlorido-(N-(2,5-dichlorophenyl)-1-(pyridin-2-yl)methanimine-κ²N,N′)(η⁶-1-isopropyl-4-methyl benzene) ruthenium (II) tetrafluoroborate, C₂₂H₂₂Cl₃N₂BF₄Ru

February 25, 2017

Joel M. Gichumbi, Bernard Omondi, Holger B. Friedrich

Page range: 309-311

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C 22 H 22 Cl 3 N 2 BF 4 Ru, monoclinic, P 2 1 / n (no. 14), a = 15.067(5) Å, b = 10.409(5) Å, c = 16.503(5) Å, β = 112.75(5)°, V = 2386.9(16) Å 3 , Z = 4, R gt ( F ) = 0.0211, wR ref ( F 2 ) = 0.0535, T = 173 K.
Open Access
Crystal structure of 3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde, a rare Z′ = 3 structure, C₂₀H₁₇N₅O

January 24, 2017

Gamal A. El-Hiti, Bakr F. Abdel-Wahab, Mohammed Baashen, Amany S. Hegazy, Benson M. Kariuki

Page range: 313-315

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C 20 H 17 N 5 O, triclinic, P 1̅ (no. 2), a = 11.5358(7) Å, b = 13.8746(9) Å, c = 16.3942(10) Å, α = 85.958(5)°, β = 87.407(5)°, γ = 87.619(5)°, V = 2612.8(3)Å 3 , Z = 6, R gt ( F ) = 0.0607, wR ref ( F 2 ) = 0.1510, T = 293(2) K.
Open Access
Crystal structure of 5-(5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)-N-phenyl-1,3,4-thiadiazol-2-amine, C₂₃H₁₆ClN₅S

February 7, 2017

Gamal A. El-Hiti, Bakr F. Abdel-Wahab, Amany S. Hegazy, Benson M. Kariuki

Page range: 317-319

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C 23 H 16 ClN 5 S, monoclinic, P 2 1 / n (no. 14), a = 19.8348(9) Å, b = 8.8376(3) Å, c = 23.8486(10) Å, β = 97.646(4)°, V = 4143.3(3) Å 3 , Z = 8, R gt ( F ) = 0.0492, wR ref ( F 2 ) = 0.1276, T = 293(2) K.
Open Access
Crystal structure of 7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one-N,N-dimethylformamide (1/1), C₁₈H₁₇NO₅

March 2, 2017

Benyong Lou, Mei Zhang, Yali Huang, Huazhong Wu

Page range: 321-322

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C 18 H 17 NO 5 , monoclinic, P 2 1 / n (no. 14), a = 6.260(4) Å, b = 20.454(12) Å, c = 12.386(8) Å, β = 97.146(10)°, V = 1573.8(16) Å 3 , Z = 4, R gt ( F ) = 0.0497, wR ref ( F 2 ) = 0.1214, T = 293 K.
Open Access
Crystal structure of halogen-bonded 2-chloro-1,10-phenanthroline—1,4-diiodotetrafluorobenzene (2/1), C₃₀H₁₄Cl₂F₄I₂N₄

February 25, 2017

Jian-Ge Wang, Weizhou Wang

Page range: 323-324

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C 30 H 14 Cl 2 F 4 I 2 N 4 , monoclinic, I 2/ a (no. 15), a = 17.3143(9) Å, b = 8.7081(4) Å, c = 19.6795(8) Å, β = 101.795(4)°, V = 2904.5(2) Å 3 , Z = 4, R gt (F) = 0.0340, w R ref (F 2 ) = 0.0890, T = 293 K.
Open Access
Crystal structure of 1-(4,4-dimethyl-2,6-dithioxo-1,3,5-triazinan-1-yl)-3-(diethylaminocarbonyl)thiourea, C₁₁H₂₀N₆OS₃

February 10, 2017

Nasry Jassim Hussien, Siti Fairus M. Yusoff, Gamal A. El-Hiti, Yang Farina, Mohamad J. Al-Jeboori, Emad Yousif

Page range: 325-326

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C 11 H 20 N 6 OS 3 , monoclinic, P 2 1 / c (no. 14), a = 10.0196(17) Å, b = 13.416(2) Å, c = 23.441(5) Å, β = 100.658(5)°, V = 1752.7(5) Å 3 , Z = 4, R gt ( F ) = 0.0558, wR ref ( F 2 ) = 0.1462, T = 303(2) K.
Open Access
Crystal structure of methyl 1-(4-fluorobenzyl)-3-phenyl-1H-pyrazole-5-carboxylate, C₁₈H₁₅FN₂O₂

February 25, 2017

Wen-Chang Xu, Jin-Zong You, Yi-Ping Zhang, Xu-Wen Huang, Tang-Qi Li, Sheng-Yue Tong, De-Qiang Qi

Page range: 327-328

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C 18 H 15 FN 2 O 2 , triclinic, P 1̅ (no. 2), a = 7.8272(8) Å, b = 9.6662(10) Å, c = 10.9834(12) Å, α = 107.859(2)°, β = 92.559(2)°, γ = 99.415(2)°, V = 776.31(14) Å 3 , Z = 2, R gt ( F ) = 0.0407, wR ref ( F 2 ) = 0.1187, T = 296 K.
Open Access
Crystal structure of 1,1-dimethyl-3-(4-methylphenyl)urea, C₁₀H₁₄N₂O

February 21, 2017

Gamal A. El-Hiti, Keith Smith, Amany S. Hegazy, Benson M. Kariuki

Page range: 329-330

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C 10 H 14 N 2 O, monoclinic, Cc (no. 9), a = 6.8354(9) Å, b = 13.8221(17) Å, c = 10.2905(12) Å, β = 90.625(11)°, V = 972.2(2) Å 3 , Z = 4, R gt ( F ) = 0.0526, wR ref ( F 2 ) = 0.1335, T = 296(2) K.
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Crystal structure of yttrium gallium antimonide, Y₅Ga_1.24Sb_2.77

February 15, 2017

Chang Yan, Meng Zhao, Ju Gao, Jinlei Yao

Page range: 331-332

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Y 5 Ga 1.24 Sb 2.77 , orthorhombic, Pnma (no. 62), a = 7.9629(1) Å, b = 15.175(2) Å, c = 7.9795(1) Å, V = 964.2(2) Å 3 , Z = 4, R gt ( F ) = 0.0701, wR ref ( F 2 ) = 0.0741, T = 293 K.
Open Access
Crystal structure of 2-(bis(4-methoxyphenyl)amino)-2-oxoacetic acid, C₁₆H₁₅NO₅

January 20, 2017

Gamal A. El-Hiti, Keith Smith, Mesfer Alamri, Ceri A. Morris, Benson M. Kariuki, Peter Kille

Page range: 333-335

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C 16 H 15 NO 5 , monoclinic, P 2 1 / n (no. 14), a = 6.7689(5) Å, b = 45.219(3) Å, c = 10.1102(6) Å, β = 101.360(7)°, V = 3033.9(4) Å 3 , T = 298(2) K.

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