Crystallography Open Database

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4511616 CIFC10 H13 N3 O4P 21 21 215.7188; 10.1645; 20.4591
90; 90; 90
1189.26Cherukuvada, Suryanarayan; Guru Row, Tayur N.
Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships
Crystal Growth & Design, 2014, 14, 4187
4510488 CIFC10 H14 OP 1 21/c 16.592; 11.118; 12.589
90; 118.869; 90
808Negrier, P.; Barrio, M.; Romanini, M.; Tamarit, J. Ll.; Mondieig, D.; Krivchikov, A. I.; Kepinski, L.; Jezowski, A.; Szewczyk, D.
Polymorphism of 2-Adamantanone
Crystal Growth & Design, 2014, 14, 2626
4510489 CIFC10 H14 OC m c 216.8884; 10.83; 10.658
90; 90; 90
795.1Negrier, P.; Barrio, M.; Romanini, M.; Tamarit, J. Ll.; Mondieig, D.; Krivchikov, A. I.; Kepinski, L.; Jezowski, A.; Szewczyk, D.
Polymorphism of 2-Adamantanone
Crystal Growth & Design, 2014, 14, 2626
4511546 CIFC10 H15 N3 O8 SP 1 21 18.6175; 24.679; 13.4297
90; 101.002; 90
2803.6Perumalla, Sathyanarayana R.; Sun, Changquan C.
Design and Preparation of a 4:1 Lamivudine‒Oxalic Acid CAB Cocrystal for Improving the Lamivudine Purification Process
Crystal Growth & Design, 2014, 14, 3990
4510879 CIFC10 H16 N2 O6P 1 21/c 15.7253; 20.2528; 10.9457
90; 100.085; 90
1249.58George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom
Does Chirality Influence the Tendency toward Cocrystal Formation?
Crystal Growth & Design, 2014, 14, 2880
4510880 CIFC10 H16 N2 O6P 1 21 15.7646; 19.8963; 11.069
90; 99.331; 90
1252.75George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom
Does Chirality Influence the Tendency toward Cocrystal Formation?
Crystal Growth & Design, 2014, 14, 2880
4512017 CIFC10 H16 N4 O7 ZnP -18.333; 9.78; 10.67
67.335; 68.389; 68.702
720.8Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana
How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks
Crystal Growth & Design, 2014, 14, 5452
4512229 CIFC10 H16 N5 O7.5C 1 2 134.8962; 8.12494; 4.91985
90; 90.939; 90
1394.74Chen, Jia-Mei; Li, Song; Lu, Tong-Bu
Pharmaceutical Cocrystals of Ribavirin with Reduced Release Rates
Crystal Growth & Design, 2014, 14, 6399
4511388 CIFC10 H17 Cu N O5P 1 21/c 112.7095; 8.7854; 12.0498
90; 101.689; 90
1317.55Dias, Sara S. P.; André, Vânia; Kłak, Julia; Duarte, M. Teresa; Kirillov, Alexander M.
Topological Diversity of Supramolecular Networks Constructed from Copper(II) Aminoalcohol Blocks and 2,6-Naphthalenedicarboxylate Linkers: Self-Assembly Synthesis, Structural Features, and Magnetic Properties
Crystal Growth & Design, 2014, 14, 3398
4511803 CIFC10 H18 Ba3 O31 V2C 1 2/c 110.725; 15.204; 17.3541
90; 99.413; 90
2791.7Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad
Observation of Multiple Crystal-to-Crystal Transitions in a New Reduced Vanadium Oxalate Hybrid Material, Ba3[(VO)2(C2O4)5(H2O)6]·(H2O)3, Prepared via a Mild, Two-Step Hydrothermal Method
Crystal Growth & Design, 2014, 14, 4749
4510587 CIFC10 H2 Cu O5 S2F m -3 m36.479; 36.479; 36.479
90; 90; 90
48543Huang, Yumei; Zhang, Bingguang; Duan, Jingui; Liu, Wenlong; Zheng, Xiaofang; Wen, Lili; Ke, Xiaohuan; Li, Dongfeng
Two Copper(II) Metal‒Organic Frameworks with Nanoporous Channels and Vacant Coordination Sites
Crystal Growth & Design, 2014, 14, 2866
4511251 CIFC10 H2 F10 N2 O2P 1 21/c 19.733; 15.198; 18.133
90; 94.256; 90
2674.9Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José
Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles
Crystal Growth & Design, 2014, 14, 3499
4511764 CIFC10 H3 N17 O4P 1 21/n 115.1136; 6.5756; 18.463
90; 113.538; 90
1682.2Suponitsky, Kyrill Yu.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Kozeev, Andrei M.; Sheremetev, Aleksei B.
Role of Weak Intermolecular Interactions in the Crystal Structure of Tetrakis-furazano[3,4-c:3′,4′-g:3″,4″-k:3‴,4‴-o][1,2,5,6,9,10,13,14]octaazacyclohexadecine and Its Solvates
Crystal Growth & Design, 2014, 14, 4439
4511416 CIFC10 H30 O16 P4 Zn3P m m n24.408; 27.827; 5.1509
90; 90; 90
3498.5Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham
Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families
Crystal Growth & Design, 2014, 14, 3612
4511805 CIFC10 H4 Ba3 O24.13 V2P 1 21/c 110.2382; 14.5463; 15.2328
90; 90.807; 90
2268.4Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad
Observation of Multiple Crystal-to-Crystal Transitions in a New Reduced Vanadium Oxalate Hybrid Material, Ba3[(VO)2(C2O4)5(H2O)6]·(H2O)3, Prepared via a Mild, Two-Step Hydrothermal Method
Crystal Growth & Design, 2014, 14, 4749
4511738 CIFC10 H4 Li2 O8P -15.0422; 7.1471; 7.2031
83.237; 76.586; 81.731
248.91Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.
Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study
Crystal Growth & Design, 2014, 14, 4355
4511706 CIFC10 H7 Cl Cu N2 O2P 1 21/c 110.5253; 13.2136; 7.3239
90; 92.775; 90
1017.4Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu
New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties
Crystal Growth & Design, 2014, 14, 3727
4509979 CIFC10 H8 Ag Cl N4 O4 SP 1 21/c 19.5081; 13.1649; 13.5056
90; 127.054; 90
1349.16Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei
Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers
Crystal Growth & Design, 2014, 14, 300
4509980 CIFC10 H8 Ag Cl N4 O4 SP 1 21/n 19.3474; 10.4189; 14.0975
90; 97.117; 90
1362.4Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei
Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers
Crystal Growth & Design, 2014, 14, 300
4509974 CIFC10 H8 N4 SP 1 21/c 19.2946; 10.8638; 10.7403
90; 113.337; 90
995.8Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei
Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers
Crystal Growth & Design, 2014, 14, 300
4512013 CIFC10 H9 N O6 ZnP -17.791; 8.989; 9.16
116.446; 104.488; 98.089
532.1Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana
How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks
Crystal Growth & Design, 2014, 14, 5452
4511889 CIFC10 H93 Ce2 K3 N4 Na10 O155 Se4 W35P -119.4192; 19.9929; 26.9568
70.225; 70.385; 63.681
8611.2Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo
Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates
Crystal Growth & Design, 2014, 14, 5099
4511422 CIFC102 H116 Ce4 N22 O39C 1 2/c 152.533; 28.74; 16.9133
90; 98.472; 90
25257Ayhan, Ozan; Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Baca, Svetlana G.; Kögerler, Paul
Assembly of Cerium(III) 2,2′-Bipyridine-5,5′-dicarboxylate-based Metal‒Organic Frameworks by Solvent Tuning
Crystal Growth & Design, 2014, 14, 3541
4511954 CIFC102 H55 Cl N66 O6 Zn8P -114.2829; 18.2078; 23.5984
110.89; 97.618; 99.347
5535.4Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun
A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences
Crystal Growth & Design, 2014, 14, 5011
4511955 CIFC102 H56 Cd8 N68 O8P -117.9776; 18.9548; 23.0341
103.422; 112.134; 101.695
6695.4Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun
A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences
Crystal Growth & Design, 2014, 14, 5011
4511008 CIFC104 H66 Ag22 F48 N9 O36P -111.3037; 11.8495; 27.6552
80.746; 87.808; 76.235
3551Hau, Sam C. K.; Mak, Thomas C. W.
Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes
Crystal Growth & Design, 2014, 14, 3567
4510557 CIFC104 H78 Cd6 N4 O33P -19.3011; 13.991; 19.562
95.54; 99.9; 103.17
2417.2Liu, Lu; Ding, Jie; Huang, Chao; Li, Ming; Hou, Hongwei; Fan, Yaoting
Polynuclear CdIIPolymers: Crystal Structures, Topologies, and the Photodegradation for Organic Dye Contaminants
Crystal Growth & Design, 2014, 14, 3035
4510863 CIFC108 H142 N4 Ni8 O28 P2 S8P -112.519; 13.07; 21.475
73.351; 89.769; 70.849
3164Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun
Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)
Crystal Growth & Design, 2014, 14, 3116
4509928 CIFC108 H96 O18 Ru6 Sn6P -115.068; 15.086; 15.68
69.769; 68.998; 71.416
3044.1Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli
Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2
Crystal Growth & Design, 2014, 14, 861
4510065 CIFC109 H120 Cl4 O12R -3 :H26.8671; 26.8671; 10.8701
90; 90; 120
6795.3Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.
Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound
Crystal Growth & Design, 2014, 14, 1296
4510064 CIFC109 H121 Br3 O12R -3 :H26.8516; 26.8516; 10.9156
90; 90; 120
6815.8Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.
Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound
Crystal Growth & Design, 2014, 14, 1296
4512325 CIFC11 H10 Br F3 N2 O3 SP -17.0831; 10.659; 10.7667
95.913; 104.24; 104.692
750.18Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4512326 CIFC11 H10 Br F3 N2 O3 SP -16.8906; 10.5223; 10.6716
96.948; 103.368; 103.979
717.56Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4511828 CIFC11 H10 F N3 O3P 1 21/n 19.0565; 5.4318; 22.8887
90; 92.87; 90
1124.55da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier
Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule
Crystal Growth & Design, 2014, 14, 4383
4512316 CIFC11 H10 F3 I N2 O3 SP -17.2427; 10.7513; 10.8275
92.95; 106.067; 104.941
775.92Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4512317 CIFC11 H10 F3 I N2 O3 SP -16.9897; 10.6617; 10.735
93.588; 105.368; 104.094
741.23Kim, Yejin; Mckinley, Emma J.; Christensen, Kirsten E.; Rees, Nicholas H.; Thompson, Amber L.
Toward the Understanding of Modulation in Molecular Materials: Barluenga's Reagent and its Analogues.
Crystal Growth & Design, 2014, 14, 6294-6301
4511393 CIFC11 H11 N O2P 1 21/c 17.3699; 22.592; 11.7988
90; 90.308; 90
1964.5Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.
Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide
Crystal Growth & Design, 2014, 14, 3360
4511394 CIFC11 H11 N O2P 1 21 16.70721; 7.01427; 10.01819
90; 102.64; 90
459.895Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.
Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide
Crystal Growth & Design, 2014, 14, 3360
4511395 CIFC11 H11 N O2P 1 21 16.7076; 7.0112; 10.021
90; 102.635; 90
459.86Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.
Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide
Crystal Growth & Design, 2014, 14, 3360
4511396 CIFC11 H11 N O2P 21 21 216.7078; 7.1693; 19.0492
90; 90; 90
916.08Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.
Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide
Crystal Growth & Design, 2014, 14, 3360
4511397 CIFC11 H11 N O2P 21 21 216.7089; 7.1714; 19.048
90; 90; 90
916.44Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.
Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide
Crystal Growth & Design, 2014, 14, 3360
4510192 CIFC11 H11 N O7 S UP b c n12.7337; 12.5615; 17.8737
90; 90; 90
2858.98Thuéry, Pierre; Harrowfield, Jack
Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent
Crystal Growth & Design, 2014, 14, 1314
4510193 CIFC11 H11 N O7 S UP 21 21 219.7799; 11.3381; 12.6008
90; 90; 90
1397.25Thuéry, Pierre; Harrowfield, Jack
Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent
Crystal Growth & Design, 2014, 14, 1314
4509906 CIFC11 H11 N3 O6 S2P 1 21/c 18.0392; 19.9339; 8.636
90; 97.715; 90
1371.41Hu, Yun; Gniado, Katarzyna; Erxleben, Andrea; McArdle, Patrick
Mechanochemical Reaction of Sulfathiazole with Carboxylic Acids: Formation of a Cocrystal, a Salt, and Coamorphous Solids
Crystal Growth & Design, 2014, 14, 803
4511823 CIFC11 H11 N3 O6 S2P 1 21/c 110.6915; 10.5459; 13.2126
90; 112.41; 90
1377.23Koike, Ryuta; Higashi, Kenjirou; Liu, Nan; Limwikrant, Waree; Yamamoto, Keiji; Moribe, Kunikazu
Structural Determination of a Novel Polymorph of Sulfathiazole‒Oxalic Acid Complex in Powder Form by Solid-State NMR Spectroscopy on the Basis of Crystallographic Structure of Another Polymorph
Crystal Growth & Design, 2014, 14, 4510
4510512 CIFC11 H11 N3 S2P -18.941; 10.074; 13.822
92.594; 95.21; 105.985
1188.7Phukan, Nithi; Baruah, Jubaraj B.
Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers
Crystal Growth & Design, 2014, 14, 2640
4510516 CIFC11 H11 N3 S2P -15.7601; 8.871; 12.097
103.779; 96.286; 95.705
591.67Phukan, Nithi; Baruah, Jubaraj B.
Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers
Crystal Growth & Design, 2014, 14, 2640
4510518 CIFC11 H11 N3 S2P 1 21/c 111.3183; 5.7063; 20.5287
90; 113.537; 90
1215.55Phukan, Nithi; Baruah, Jubaraj B.
Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers
Crystal Growth & Design, 2014, 14, 2640
4510522 CIFC11 H11 N3 S2C 1 2/c 116.8654; 6.1269; 24.5611
90; 108.596; 90
2405.5Phukan, Nithi; Baruah, Jubaraj B.
Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers
Crystal Growth & Design, 2014, 14, 2640
4510511 CIFC11 H12 Br N3 S2I 1 2/c 123.7103; 4.45641; 25.3321
90; 95.947; 90
2662.26Phukan, Nithi; Baruah, Jubaraj B.
Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers
Crystal Growth & Design, 2014, 14, 2640

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