Crystallography Open Database

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Searching journal of publication like 'Molecular Pharmaceutics' volume of publication is 4

COD ID: 1505170
CIF file Formula: - C40 H38 N8 O4 -
Comments: Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics 4(3) (2007) 317
Space group: P 1 21/n 1
Cell volume: 1712.1
Cell parameters: 5.6367; 32.91; 9.4476; 90; 102.342; 90;  

COD ID: 1505171
CIF file Formula: - C15 H11 F2 N3 O2 -
Comments: Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics 4(3) (2007) 317
Space group: P 1 21/n 1
Cell volume: 1382.1
Cell parameters: 7.1555; 17.958; 10.9686; 90; 101.301; 90;  

COD ID: 1505172
CIF file Formula: - C32 H39 N3 O4 -
Comments: Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics 4(3) (2007) 317
Space group: P -1
Cell volume: 1364.42
Cell parameters: 8.8864; 11.9875; 13.7015; 99.38; 93.191; 107.556;  

COD ID: 1505173
CIF file Formula: - C32 H24 N8 O12 -
Comments: Aakeröy, Christer B.; Fasulo, Meg E.; Desper, John Cocrystal or Salt: Does It Really Matter? Molecular Pharmaceutics 4(3) (2007) 317
Space group: P -1
Cell volume: 1551.53
Cell parameters: 9.7657; 11.7691; 14.0803; 86.227; 74.163; 86.202;  

COD ID: 1505174
CIF file Formula: - C13 H16 N4 O4 -
Comments: Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics 4(3) (2007) 323
Space group: P 1 21/m 1
Cell volume: 686.98
Cell parameters: 8.7478; 6.5361; 12.5842; 90; 107.296; 90;  

COD ID: 1505175
CIF file Formula: - C14 H15 N4 O5 -
Comments: Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics 4(3) (2007) 323
Space group: P 1 21/n 1
Cell volume: 1382.32
Cell parameters: 6.9183; 25.9086; 7.9749; 90; 104.754; 90;  

COD ID: 1505176
CIF file Formula: - C18 H16 N4 O5 -
Comments: Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics 4(3) (2007) 323
Space group: P 1 21/c 1
Cell volume: 3308.2
Cell parameters: 11.814; 31.707; 8.92; 90; 98.072; 90;  

COD ID: 1505177
CIF file Formula: - C14 H14 N4 O5 -
Comments: Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics 4(3) (2007) 323
Space group: P 1 21/c 1
Cell volume: 1397.2
Cell parameters: 7.1201; 7.928; 24.763; 90; 91.66; 90;  

COD ID: 1505178
CIF file Formula: - C15 H17 N5 O4 -
Comments: Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics 4(3) (2007) 323
Space group: P 1 21/n 1
Cell volume: 1528.59
Cell parameters: 8.7337; 15.3838; 11.5271; 90; 99.256; 90;  

COD ID: 1505179
CIF file Formula: - C8 H12 N5 O2 -
Comments: Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics 4(3) (2007) 323
Space group: P 1 21/c 1
Cell volume: 906.04
Cell parameters: 8.7804; 6.5989; 16.0041; 90; 102.292; 90;  

COD ID: 1505180
CIF file Formula: - C16 H26 N10 O5 -
Comments: Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics 4(3) (2007) 323
Space group: P -1
Cell volume: 966.87
Cell parameters: 8.3936; 10.2277; 11.8295; 78.839; 77.795; 81.075;  

COD ID: 1505181
CIF file Formula: - C17 H13 F3 N2 O6 -
Comments: Childs, Scott L.; Stahly, G. Patrick; Park, Aeri The Salt−Cocrystal Continuum: The Influence of Crystal Structure on Ionization State Molecular Pharmaceutics 4(3) (2007) 323
Space group: P 1 21/c 1
Cell volume: 1688.73
Cell parameters: 8.1434; 20.7559; 10.6511; 90; 110.276; 90;  

COD ID: 1505182
CIF file Formula: - C19 H18 N4 O5 -
Comments: Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z. Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon Molecular Pharmaceutics 4(3) (2007) 339
Space group: P 1 21/n 1
Cell volume: 1739.5
Cell parameters: 7.6063; 14.042; 16.327; 90; 94.03; 90;  

COD ID: 1505183
CIF file Formula: - C19 H18 N4 O5 -
Comments: Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z. Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon Molecular Pharmaceutics 4(3) (2007) 339
Space group: P 1 21/c 1
Cell volume: 1702
Cell parameters: 9.04; 24.42; 8.654; 90; 117.015; 90;  

COD ID: 1505184
CIF file Formula: - C19 H18 N4 O5 -
Comments: Bučar, Dejan-Krešimir; Henry, Rodger F.; Lou, Xiaochun; Duerst, Richard W.; Borchardt, Thomas B.; MacGillivray, Leonard R.; Zhang, Geoff G. Z. Co-Crystals of Caffeine and Hydroxy-2-naphthoic Acids: Unusual Formation of the Carboxylic Acid Dimer in the Presence of a Heterosynthon Molecular Pharmaceutics 4(3) (2007) 339
Space group: P -1
Cell volume: 870.3
Cell parameters: 8.029; 8.592; 13.996; 106.475; 98.162; 104.904;  

COD ID: 1505185
CIF file Formula: - C13 H18 N4 O10 -
Comments: Karki, Shyam; Friščić, Tomislav; Jones, William; Motherwell, W. D. Samuel Screening for Pharmaceutical Cocrystal Hydrates via Neat and Liquid-Assisted Grinding Molecular Pharmaceutics 4(3) (2007) 347
Space group: P 1 21/c 1
Cell volume: 1642.32
Cell parameters: 17.9217; 6.1766; 15.3751; 90; 105.212; 90;  

COD ID: 1505186
CIF file Formula: - C14 H18 N4 O9 -
Comments: Karki, Shyam; Friščić, Tomislav; Jones, William; Motherwell, W. D. Samuel Screening for Pharmaceutical Cocrystal Hydrates via Neat and Liquid-Assisted Grinding Molecular Pharmaceutics 4(3) (2007) 347
Space group: P -1
Cell volume: 814.72
Cell parameters: 7.3874; 8.3967; 13.5053; 91.333; 99.04; 99.588;  

COD ID: 1505187
CIF file Formula: - C2 H5 O5.5 -
Comments: Wenger, Mazal; Bernstein, Joel Cocrystal Design Gone Awry? A New Dimorphic Hydrate of Oxalic Acid Molecular Pharmaceutics 4(3) (2007) 355
Space group: P n m a
Cell volume: 956.6
Cell parameters: 11.231; 12.33; 6.9082; 90; 90; 90;  

COD ID: 1505188
CIF file Formula: - C4 H9 O11 -
Comments: Wenger, Mazal; Bernstein, Joel Cocrystal Design Gone Awry? A New Dimorphic Hydrate of Oxalic Acid Molecular Pharmaceutics 4(3) (2007) 355
Space group: P -1
Cell volume: 471
Cell parameters: 6.337; 7.247; 10.571; 94.345; 100.244; 97.674;  

COD ID: 1505189
CIF file Formula: - C26 H22 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P 1 21/c 1
Cell volume: 1098.1
Cell parameters: 13.223; 6.1971; 14.63; 90; 113.661; 90;  

COD ID: 1505190
CIF file Formula: - C19 H15 N3 O -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: C 1 2/c 1
Cell volume: 3139
Cell parameters: 18.715; 7.228; 23.208; 90; 90.478; 90;  

COD ID: 1505191
CIF file Formula: - C26 H20 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P 1 21/n 1
Cell volume: 2224.2
Cell parameters: 16.5421; 7.5056; 18.709; 90; 106.763; 90;  

COD ID: 1505192
CIF file Formula: - C24 H18 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P 1 21/c 1
Cell volume: 1039.4
Cell parameters: 20.866; 7.437; 6.7662; 90; 98.142; 90;  

COD ID: 1505193
CIF file Formula: - C18 H14 N2 O -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P 1 21/c 1
Cell volume: 1508
Cell parameters: 9.906; 21.65; 7.59; 90; 112.14; 90;  

COD ID: 1505194
CIF file Formula: - C24 H18 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P 1 21/n 1
Cell volume: 4139
Cell parameters: 12.7871; 7.2838; 44.445; 90; 90.895; 90;  

COD ID: 1505195
CIF file Formula: - C18 H14 N2 O -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: C 1 2/c 1
Cell volume: 2987
Cell parameters: 26.217; 7.481; 19.41; 90; 128.31; 90;  

COD ID: 1505196
CIF file Formula: - C24 H18 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P -1
Cell volume: 476.5
Cell parameters: 3.8483; 8.755; 14.364; 96.647; 94.498; 95.474;  

COD ID: 1505197
CIF file Formula: - C26 H22 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P 1 21/c 1
Cell volume: 1095.9
Cell parameters: 11.195; 7.335; 13.53; 90; 99.465; 90;  

COD ID: 1505198
CIF file Formula: - C19 H15 N3 O -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: C 1 c 1
Cell volume: 3047.5
Cell parameters: 18.503; 7.5019; 21.971; 90; 92.181; 90;  

COD ID: 1505199
CIF file Formula: - C19 H15 N3 O -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P -1
Cell volume: 1588.1
Cell parameters: 7.616; 10.003; 22.497; 87.342; 81.024; 69.737;  

COD ID: 1505200
CIF file Formula: - C26 H20 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P 1 21/c 1
Cell volume: 1101.9
Cell parameters: 14.66; 4.11; 18.29; 90; 90.74; 90;  

COD ID: 1505201
CIF file Formula: - C24 H18 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: C 1 2/c 1
Cell volume: 2090
Cell parameters: 39.87; 7.586; 6.915; 90; 91.972; 90;  

COD ID: 1505202
CIF file Formula: - C24 H18 N6 O3 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P -1
Cell volume: 1125.9
Cell parameters: 7.889; 8.156; 19.673; 83.866; 85.627; 63.512;  

COD ID: 1505203
CIF file Formula: - C18 H14 N4 O2 -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P -1
Cell volume: 836.9
Cell parameters: 9.171; 9.941; 10.265; 95.674; 94.987; 114.784;  

COD ID: 1505204
CIF file Formula: - C30 H24 F4 N4 O4 S -
Comments: Bis, Joanna A.; Vishweshwar, Peddy; Weyna, David; Zaworotko, Michael J. Hierarchy of Supramolecular Synthons: Persistent Hydroxyl···Pyridine Hydrogen Bonds in Cocrystals That Contain a Cyano Acceptor Molecular Pharmaceutics 4(3) (2007) 401
Space group: P -1
Cell volume: 1449.4
Cell parameters: 8.274; 10.172; 18.601; 87.521; 78.256; 71.067;  

COD ID: 1505205
CIF file Formula: - C12 H10 N4 O5 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P 1 21/n 1
Cell volume: 1225.72
Cell parameters: 10.385; 7.2222; 16.3763; 90; 93.686; 90;  

COD ID: 1505206
CIF file Formula: - C16 H18 N4 O5 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P -1
Cell volume: 811.64
Cell parameters: 8.4083; 9.8893; 10.6761; 73.201; 79.022; 74.182;  

COD ID: 1505207
CIF file Formula: - C6 H6 N3 O4 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P 1 21/n 1
Cell volume: 749.5
Cell parameters: 5.258; 6.478; 22.118; 90; 95.795; 90;  

COD ID: 1505208
CIF file Formula: - C24 H18 N4 O8 S2 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P 1 21/n 1
Cell volume: 1164.12
Cell parameters: 6.5207; 14.0377; 13.1232; 90; 104.28; 90;  

COD ID: 1505209
CIF file Formula: - C13 H17 N3 O4 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P 1 21/c 1
Cell volume: 1399.99
Cell parameters: 7.2276; 19.5811; 9.9928; 90; 98.136; 90;  

COD ID: 1505210
CIF file Formula: - C20 H26 N4 O5 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P 1 21/c 1
Cell volume: 4024
Cell parameters: 8.2106; 23.9166; 20.6318; 90; 96.67; 90;  

COD ID: 1505211
CIF file Formula: - C24 H22 N4 O6 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P -1
Cell volume: 541.2
Cell parameters: 5.692; 9.482; 10.751; 69.893; 84.232; 84.969;  

COD ID: 1505212
CIF file Formula: - C9 H11 N2 O4 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P -1
Cell volume: 494.7
Cell parameters: 6.409; 7.372; 11.064; 96.127; 97.22; 105.35;  

COD ID: 1505213
CIF file Formula: - C23 H18 N4 O3 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P -1
Cell volume: 977.8
Cell parameters: 7.284; 10.688; 14.132; 100.25; 102.463; 109.079;  

COD ID: 1505214
CIF file Formula: - C17 H14 N3 O2 -
Comments: Babu, N. Jagadeesh; Reddy, L. Sreenivas; Nangia, Ashwini Amide−N-Oxide Heterosynthon and Amide Dimer Homosynthon in Cocrystals of Carboxamide Drugs and PyridineN-Oxides Molecular Pharmaceutics 4(3) (2007) 417
Space group: P 1 21/c 1
Cell volume: 1397.2
Cell parameters: 10.237; 27.247; 5.135; 90; 102.708; 90;  


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