Crystallography Open Database

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1513566 CIF
HKL		C10 H10 N4 O2P 1 21/c 111.0104; 10.0398; 18.604
90; 97.32; 90		2039.77Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude
Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole
IUCrJ, 2014, 1, 110-118
1513567 CIFC10 H10 N4 O2P 1 21/c 110.978; 10.006; 18.488
90; 97.223; 90		2014.7Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude
Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole
IUCrJ, 2014, 1, 110-118
1513568 CIFC10 H10 N4 O2P 1 21/c 111.047; 10.129; 18.652
90; 97.223; 90		2070.5Poulain, Agnieszka; Wenger, Emmanuel; Durand, Pierrick; Jarzembska, Katarzyna N.; Kamiński, Radosław; Fertey, Pierre; Kubicki, Maciej; Lecomte, Claude
Anharmonicity and isomorphic phase transition: a multi-temperature X-ray single-crystal and powder diffraction study of 1-(2'-aminophenyl)-2-methyl-4-nitroimidazole
IUCrJ, 2014, 1, 110-118
1513569 CIFC44 H40 N6 O4P -18.7711; 10.0113; 12.0057
67.978; 78.03; 69.224		910.38Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.
Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters
IUCrJ, 2014, 1, 8-18
1513570 CIF
HKL		C44 H40 N6 O4P 1 21/n 19.2233; 36.2938; 16.5853
90; 97.827; 90		5500.2Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.
Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters
IUCrJ, 2014, 1, 8-18
1513572 CIFC44 H40 N6 O4P 1 21/n 19.0828; 12.3446; 16.6095
90; 96.32; 90		1851Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.
Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters
IUCrJ, 2014, 1, 8-18
1513573 CIFC44 H40 N6 O4P 1 21/n 19.118; 12.3427; 16.64
90; 96.381; 90		1861.08Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.
Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters
IUCrJ, 2014, 1, 8-18
1513574 CIFC44 H40 N6 O4P 1 21/n 19.1938; 12.3828; 16.7311
90; 96.358; 90		1893.04Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.
Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters
IUCrJ, 2014, 1, 8-18
1513575 CIFC44 H40 N6 O4P 1 21/n 19.2118; 36.2075; 16.5458
90; 97.923; 90		5465.9Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.
Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters
IUCrJ, 2014, 1, 8-18
1513576 CIFC17 H16 N2 O2P 1 21/c 117.8201; 8.3288; 39.3222
90; 91.901; 90		5833Dubey, Ritesh; Pavan, Mysore S.; Guru Row, Tayur N.; Desiraju, Gautam R.
Crystal landscape in the orcinol:4,4'-bipyridine system: synthon modularity, polymorphism and transferability of multipole charge density parameters
IUCrJ, 2014, 1, 8-18
1513577 CIF
HKL		C6 H4 Cl2 OI 41/a :226.127; 26.127; 3.7926
90; 90; 90		2588.9Mukherjee, Arijit; Desiraju, Gautam R.
Halogen bonds in some dihalogenated phenols: applications to crystal engineering
IUCrJ, 2014, 1, 49-60
1513578 CIFC6 H4 Cl2 OI 41/a :226.186; 26.186; 3.8144
90; 90; 90		2615.6Mukherjee, Arijit; Desiraju, Gautam R.
Halogen bonds in some dihalogenated phenols: applications to crystal engineering
IUCrJ, 2014, 1, 49-60
1513579 CIFC6 H4 Cl2 OI 41/a :226.251; 26.251; 3.8524
90; 90; 90		2654.7Mukherjee, Arijit; Desiraju, Gautam R.
Halogen bonds in some dihalogenated phenols: applications to crystal engineering
IUCrJ, 2014, 1, 49-60
1513580 CIFC6 H4 Br Cl OI 41/a :226.419; 26.419; 3.8824
90; 90; 90		2709.8Mukherjee, Arijit; Desiraju, Gautam R.
Halogen bonds in some dihalogenated phenols: applications to crystal engineering
IUCrJ, 2014, 1, 49-60
1513581 CIFC6 H4 Br Cl OI 41/a :226.465; 26.465; 3.9017
90; 90; 90		2732.7Mukherjee, Arijit; Desiraju, Gautam R.
Halogen bonds in some dihalogenated phenols: applications to crystal engineering
IUCrJ, 2014, 1, 49-60
1513582 CIFC6 H4 Br Cl OI 41/a :226.65; 26.65; 3.965
90; 90; 90		2816Mukherjee, Arijit; Desiraju, Gautam R.
Halogen bonds in some dihalogenated phenols: applications to crystal engineering
IUCrJ, 2014, 1, 49-60
1513583 CIFC6 H4 Br Cl OP 1 21/c 111.457; 4.1113; 15.233
90; 108.905; 90		678.8Mukherjee, Arijit; Desiraju, Gautam R.
Halogen bonds in some dihalogenated phenols: applications to crystal engineering
IUCrJ, 2014, 1, 49-60
1513584 CIFC6 H4 Cl I OP 1 21/c 111.222; 4.263; 15.81
90; 106.933; 90		724Mukherjee, Arijit; Desiraju, Gautam R.
Halogen bonds in some dihalogenated phenols: applications to crystal engineering
IUCrJ, 2014, 1, 49-60
1513585 CIFC6 H4 Cl I OP 1 21/c 111.242; 4.286; 15.87
90; 107.016; 90		731.2Mukherjee, Arijit; Desiraju, Gautam R.
Halogen bonds in some dihalogenated phenols: applications to crystal engineering
IUCrJ, 2014, 1, 49-60
1513586 CIFC6 H4 Cl I OP 1 21/c 111.26; 4.321; 15.88
90; 106.74; 90		740Mukherjee, Arijit; Desiraju, Gautam R.
Halogen bonds in some dihalogenated phenols: applications to crystal engineering
IUCrJ, 2014, 1, 49-60

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