Crystallography Open Database

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2021874 CIF
Paper
C40 H26 F10 N6 O6 S2 ZnP -110.0901; 20.3099; 22.312
65.5992; 88.3686; 89.7419
4162.14Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie
Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 43
2021875 CIF
Paper
C40 H26 Cl4 F6 N6 O6 S2 ZnP -110.2008; 10.279; 21.6355
93.942; 91.113; 90.349
2262.7Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie
Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 43
2021876 CIF
Paper
C40 H26 Br4 F6 N6 O6 S2 ZnP -110.2631; 10.4481; 22.1315
83.959; 88.508; 89.483
2359.1Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie
Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 43
2021877 CIF
Paper
C40 H26 F6 I4 N6 O6 S2 ZnP -113.3328; 14.3957; 14.6008
95.972; 110.04; 99.907
2552.9Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie
Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine ZnIIcomplexes
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 43
2021878 CIF
Paper
C10 H13 Cl N2 O3 SP 21 21 2126.573; 4.8587; 8.8165
90; 90; 90
1138.3Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77
2021879 CIFC10 H13 Cl N2 O3 SP 21 21 2126.5733; 4.7178; 8.6406
90; 90; 90
1083.25Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77
2021880 CIFC10 H13 Cl N2 O3 SP 21 21 2126.605; 4.6688; 8.5711
90; 90; 90
1064.65Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77
2021881 CIFC10 H13 Cl N2 O3 SP 21 21 2126.6068; 4.6576; 8.5556
90; 90; 90
1060.24Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77
2021882 CIFC10 H13 Cl N2 O3 SP 21 1 125.602; 4.634; 8.8525
99.109; 90; 90
1037.01Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77
2021883 CIFC10 H13 Cl N2 O3 SP 21 1 125.522; 4.6023; 8.8298
99.477; 90; 90
1023Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2013, 69, 77
2105309 CIF
Paper
C13 H19 F6 O2 P PdP 1 21/c 19.3166; 15.4676; 12.6132
90; 119.016; 90
1589.49Hill, Tania N.; Roodt, Andreas; Steyl, Gideon
Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters
Acta Crystallographica Section B, 2013, 69, 36-42
2105310 CIF
HKL
Paper
C13 H19 B F4 O2 PdP c a 2126.2908; 7.1684; 7.7782
90; 90; 90
1465.9Hill, Tania N.; Roodt, Andreas; Steyl, Gideon
Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters
Acta Crystallographica Section B, 2013, 69, 36-42
2105311 CIF
Paper
C16 H16 F9 O2 P Pd SP 1 21/c 19.9691; 17.0294; 13.6427
90; 124.439; 90
1910.15Hill, Tania N.; Roodt, Andreas; Steyl, Gideon
Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters
Acta Crystallographica Section B, 2013, 69, 36-42
2105312 CIF
Paper
C16 H16 B F7 O2 Pd SP 1 21/c 110.0528; 16.6333; 13.16
90; 125.684; 90
1787.35Hill, Tania N.; Roodt, Andreas; Steyl, Gideon
Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters
Acta Crystallographica Section B, 2013, 69, 36-42
2105313 CIF
HKL
Paper
C13 H13 F12 O2 P PdP 1 21/c 18.5885; 10.6304; 19.4093
90; 93.415; 90
1768.91Hill, Tania N.; Roodt, Andreas; Steyl, Gideon
Electronic influence of β-diketonato-type ligands on the coordination of 1,5-cyclooctadiene to palladium(II) as defined by `Venus fly trap' geometric parameters
Acta Crystallographica Section B, 2013, 69, 36-42
2105314 CIF
HKL
Paper
C40 H26 F10 N6 O6 S2 ZnP -110.0901; 20.3099; 22.312
65.5992; 88.3686; 89.7419
4162.14Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie
Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine Zn^II^ complexes
Acta Crystallographica Section B, 2013, 69, 43-54
2105315 CIF
HKL
Paper
C40 H26 Cl4 F6 N6 O6 S2 ZnP -110.2008; 10.279; 21.6355
93.942; 91.113; 90.349
2262.7Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie
Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine Zn^II^ complexes
Acta Crystallographica Section B, 2013, 69, 43-54
2105316 CIF
HKL
Paper
C40 H26 Br4 F6 N6 O6 S2 ZnP -110.2631; 10.4481; 22.1315
83.959; 88.508; 89.483
2359.1Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie
Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine Zn^II^ complexes
Acta Crystallographica Section B, 2013, 69, 43-54
2105317 CIF
HKL
Paper
C40 H26 F6 I4 N6 O6 S2 ZnP -113.3328; 14.3957; 14.6008
95.972; 110.04; 99.907
2552.9Dumitru, Florina; Legrand, Yves-Marie; Barboiu, Mihail; van der Lee, Arie
Weak intermolecular hydrogen and halogen interactions in an isomorphous halogen series of pseudoterpyridine Zn^II^ complexes
Acta Crystallographica Section B, 2013, 69, 43-54
2105318 CIF
Paper
C60 H40 N8 O16P 1 21/n 110.687; 22.4852; 22.6756
90; 101.721; 90
5335.31Mocilac, Pavle; Gallagher, John F.
Entry point into new trimeric and tetrameric imide-based macrocyclic esters derived from isophthaloyl dichloride and methyl 6-aminonicotinate
Acta Crystallographica Section B, 2013, 69, 62-69
2105319 CIF
Paper
C45 H30 N6 O12P -116.3411; 16.5747; 17.4806
87.273; 83.35; 89.825
4697.4Mocilac, Pavle; Gallagher, John F.
Entry point into new trimeric and tetrameric imide-based macrocyclic esters derived from isophthaloyl dichloride and methyl 6-aminonicotinate
Acta Crystallographica Section B, 2013, 69, 62-69
2105320 CIF
Paper
C10 H13 Cl N2 O3 SP 21 21 2126.573; 4.8587; 8.8165
90; 90; 90
1138.3Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B, 2013, 69, 77-85
2105321 CIF
Paper
C10 H13 Cl N2 O3 SP 21 21 2126.5733; 4.7178; 8.6406
90; 90; 90
1083.25Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B, 2013, 69, 77-85
2105322 CIF
Paper
C10 H13 Cl N2 O3 SP 21 21 2126.605; 4.6688; 8.5711
90; 90; 90
1064.65Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B, 2013, 69, 77-85
2105323 CIF
Paper
C10 H13 Cl N2 O3 SP 21 21 2126.6068; 4.6576; 8.5556
90; 90; 90
1060.24Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B, 2013, 69, 77-85
2105324 CIF
Paper
C10 H13 Cl N2 O3 SP 21 1 125.602; 4.634; 8.8525
99.109; 90; 90
1037.01Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B, 2013, 69, 77-85
2105325 CIF
Paper
C10 H13 Cl N2 O3 SP 21 1 125.522; 4.6023; 8.8298
99.477; 90; 90
1023Seryotkin, Yury V.; Drebushchak, Tatiana N.; Boldyreva, Elena V.
A high-pressure polymorph of chlorpropamide formed on hydrostatic compression of the α-form in saturated ethanol solution
Acta Crystallographica Section B, 2013, 69, 77-85
2105326 CIF
HKL
Paper
C28 H30 N2 O6 P2P 1 21/c 115.7039; 5.3299; 16.932
90; 111.26; 90
1320.8Gholivand, Khodayar; Valmoozi, Ali A. Ebrahimi; Mahzouni, Hamid R.
Structural and electronic aspects of hydrogen bonding in two polymorphs of butylene-<i>N</i>,<i>N</i>'-bis(<i>O</i>,<i>O</i>'-diarylphosphoramidate)
Acta Crystallographica Section B, 2013, 69, 55-61
2105327 CIF
HKL
Paper
C28 H30 N2 O6 P2P 1 21/n 19.6437; 14.3801; 10.3503
90; 113.659; 90
1314.7Gholivand, Khodayar; Valmoozi, Ali A. Ebrahimi; Mahzouni, Hamid R.
Structural and electronic aspects of hydrogen bonding in two polymorphs of butylene-<i>N</i>,<i>N</i>'-bis(<i>O</i>,<i>O</i>'-diarylphosphoramidate)
Acta Crystallographica Section B, 2013, 69, 55-61
2105328 CIF
Paper
C3 H8 N2 OF d d 211.3837; 19.6293; 4.56079
90; 90; 90
1019.13Näther, Christian; Döring, Cindy; Jess, Inke; Jones, Peter G.; Taouss, Christina
Thermodynamic and structural relationships between the two polymorphs of 1,3-dimethylurea
Acta Crystallographica Section B, 2013, 69, 70-76
2105329 CIF
HKL
Paper
C3 H8 N2 OP 21 21 210.8522; 4.9102; 4.5766
90; 90; 90
243.87Näther, Christian; Döring, Cindy; Jess, Inke; Jones, Peter G.; Taouss, Christina
Thermodynamic and structural relationships between the two polymorphs of 1,3-dimethylurea
Acta Crystallographica Section B, 2013, 69, 70-76
2105439 CIF
Paper
C7 H13 F3 N3 O2 PP 1 21/a 111.3416; 9.0552; 11.803
90; 109.413; 90
1143.26Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid
Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database
Acta Crystallographica Section B, 2013, 69, 184-194
2105440 CIF
Paper
C21 H32 Cl2 N3 O2 PP 1 21/n 110.1526; 12.902; 18.5334
90; 92.724; 90
2424.93Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid
Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database
Acta Crystallographica Section B, 2013, 69, 184-194
2105441 CIF
Paper
C23 H24 Cl2 N3 O2 PP 1 21/c 110.0375; 23.0525; 10.17
90; 96.809; 90
2336.63Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid
Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database
Acta Crystallographica Section B, 2013, 69, 184-194
2105442 CIF
HKL
Paper
C15 H24 Cl2 N3 O2 PP -19.7455; 10.0122; 11.7163
66.278; 67.729; 84.121
966.85Pourayoubi, Mehrdad; Toghraee, Maryam; Divjakovic, Vladimir; van der Lee, Arie; Mancilla Percino, Teresa; Leyva Ramírez, Marco A.; Saneei, Anahid
Analysis of N—H···O hydrogen bonds in new C(O)—NH—P(O)-based phosphoric triamides and analogous structures deposited in the Cambridge Structural Database
Acta Crystallographica Section B, 2013, 69, 184-194
2105443 CIF
HKL
Paper
C80.75 H175.5 O82.25C 1 2 128.7452; 27.0276; 15.7252
90; 95.827; 90
12154Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K
Acta Crystallographica Section B, 2013, 69, 214-227
2105444 CIF
HKL
Paper
C79.46 H120.12 O73.55C 1 2 128.725; 27.195; 15.838
90; 95.92; 90
12306Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K
Acta Crystallographica Section B, 2013, 69, 214-227
2105445 CIF
HKL
Paper
C78.5 H86.4 O73.2C 1 2 128.712; 27.267; 15.79
90; 95.4; 90
12307Gallois-Montbrun, Delphine; Le Bas, Geneviève; Mason, Sax A.; Prangé, Thierry; Lesieur, Sylviane
A highly hydrated α-cyclodextrin/1-undecanol inclusion complex: crystal structure and hydrogen-bond network from high-resolution neutron diffraction at 20K
Acta Crystallographica Section B, 2013, 69, 214-227
2105446 CIF
Paper
C4 H10 OP 15.10141; 5.53079; 9.0323
79.0266; 75.7579; 78.8261
239.586Derollez, Patrick; Hédoux, Alain; Guinet, Yannick; Danède, Florence; Paccou, Laurent
Structure determination of the crystalline phase of <i>n</i>-butanol by powder X-ray diffraction and study of intermolecular associations by Raman spectroscopy
Acta Crystallographica Section B, 2013, 69, 195-202
2105447 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 112.456; 6.4891; 11.338
90; 113.57; 90
840Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105448 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 112.451; 6.4259; 11.317
90; 113.54; 90
830.1Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105449 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 112.421; 6.2751; 11.273
90; 113.48; 90
805.9Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105450 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 112.406; 6.1807; 11.236
90; 113.29; 90
791.3Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105451 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 112.142; 6.1377; 11.231
90; 116.97; 90
746Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105452 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 112.037; 6.0534; 11.211
90; 117.41; 90
725.2Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105453 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 111.976; 6.0032; 11.199
90; 117.61; 90
713.5Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105454 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 111.905; 5.9492; 11.185
90; 117.79; 90
700.8Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105455 CIF
HKL
Paper
C5 H11 N O7P 1 21/c 111.807; 5.8748; 11.164
90; 117.98; 90
683.9Zakharov, Boris A.; Boldyreva, Elena V.
A high-pressure single-crystal to single-crystal phase transition in <small>DL</small>-alaninium semi-oxalate monohydrate with switching-over hydrogen bonds
Acta Crystallographica Section B, 2013, 69, 271-280
2105456 CIF
HKL
Paper
C16 H10 Br N O3P 1 21/n 15.466; 17.381; 13.948
90; 92.079; 90
1324.3Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105457 CIF
HKL
Paper
C16 H10 Br N O3P c a 2123.047; 4.8246; 12.075
90; 90; 90
1342.7Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105458 CIF
HKL
Paper
C16 H10 Br N O3P -15.722; 7.968; 14.558
96.004; 99.996; 92.558
648.7Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105459 CIF
HKL
Paper
C16 H10 N2 O5P 1 21/c 112.3425; 5.885; 18.316
90; 99.543; 90
1312Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105460 CIF
HKL
Paper
C17 H13 N O4P 21 21 214.7199; 15.345; 19.338
90; 90; 90
1400.6Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105461 CIF
HKL
Paper
C17 H13 N O4P n a 2112.82; 26.29; 3.802
90; 90; 90
1281Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105462 CIF
HKL
Paper
C18 H15 N O3P b c a21.094; 16.297; 8.402
90; 90; 90
2888Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105463 CIF
HKL
Paper
C18 H15 N O4P 1 21/c 114.327; 8.468; 12.708
90; 110.514; 90
1444Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105464 CIF
HKL
Paper
C17 H13 N O3P -17.4724; 9.3647; 10.5398
88.283; 71.173; 72.42
663.61Gomes, Ligia Rebelo; Low, John Nicolson; Cagide, Fernando; Gaspar, Alexandra; Reis, Joana; Borges, Fernanda
Structural characterization of some <i>N</i>-phenyl-4-oxo-4<i>H</i>-2-chromone carboxamides
Acta Crystallographica Section B, 2013, 69, 294-309
2105465 CIF
Paper
C5 H12 N2P 1 21 15.213; 8.471; 7.2048
90; 105.362; 90
306.79Reibenspies, Joseph; Bhuvanesh, Nattamai
Absolute structure of <i>R</i>-({-})-2-methylpiperazine and <i>S</i>-(+)-2-methylpiperazine
Acta Crystallographica Section B, 2013, 69, 288-293
2105466 CIF
HKL
Paper
C5 H12 N2P 1 21 15.209; 8.4798; 7.2037
90; 105.254; 90
306.99Reibenspies, Joseph; Bhuvanesh, Nattamai
Absolute structure of <i>R</i>-({-})-2-methylpiperazine and <i>S</i>-(+)-2-methylpiperazine
Acta Crystallographica Section B, 2013, 69, 288-293
2105467 CIF
HKL
Paper
C5 H14.71 Br2 N2 O0.36P 1 21 16.0418; 11.5649; 7.1333
90; 106.911; 90
476.87Reibenspies, Joseph; Bhuvanesh, Nattamai
Absolute structure of <i>R</i>-({-})-2-methylpiperazine and <i>S</i>-(+)-2-methylpiperazine
Acta Crystallographica Section B, 2013, 69, 288-293
2105468 CIF
HKL
Paper
C5 H14.5 Br2 N2 O0.25P 1 21 16.0262; 11.555; 7.1392
90; 107.018; 90
475.35Reibenspies, Joseph; Bhuvanesh, Nattamai
Absolute structure of <i>R</i>-({-})-2-methylpiperazine and <i>S</i>-(+)-2-methylpiperazine
Acta Crystallographica Section B, 2013, 69, 288-293
2105469 CIF
Paper
Al220.86 Cu13.7 Ta150P 63/m m c13.512; 13.512; 39.022
90; 90; 120
6169.9Dshemuchadse, Julia; Bigler, Sandro; Simonov, Arkadiy; Weber, Thomas; Steurer, Walter
A new complex intermetallic phase in the system Al‒Cu‒Ta with familiar clusters and packing principles
Acta Crystallographica Section B, 2013, 69, 238-248
2105470 CIF
Paper
C15 H24 F2 N3 O2 PP -19.8932; 10.5022; 19.228
79.853; 81.589; 62.86
1745.1Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa
Hirshfeld surface analysis of new phosphoramidates
Acta Crystallographica Section B, 2013, 69, 260-270
2105471 CIF
Paper
C13 H20 F2 N3 O3 PP 21 21 218.7127; 10.9675; 16.8649
90; 90; 90
1611.55Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa
Hirshfeld surface analysis of new phosphoramidates
Acta Crystallographica Section B, 2013, 69, 260-270
2105472 CIF
Paper
C16 H18 N O4 PP 1 21 16.4231; 9.1119; 13.6799
90; 94.137; 90
798.55Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa
Hirshfeld surface analysis of new phosphoramidates
Acta Crystallographica Section B, 2013, 69, 260-270
2105473 CIF
Paper
C18 H15 Br N O3 PP -110.1842; 10.2741; 10.7121
108.304; 94.3109; 118.084
904.95Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa
Hirshfeld surface analysis of new phosphoramidates
Acta Crystallographica Section B, 2013, 69, 260-270
2105474 CIF
Paper
C32 H40 N4 O3 P2C 1 2/c 119.05; 8.5308; 18.821
90; 97.341; 90
3033.6Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa
Hirshfeld surface analysis of new phosphoramidates
Acta Crystallographica Section B, 2013, 69, 260-270
2105475 CIF
Paper
C28 H32 N4 O3 P2P c c n13.4363; 20.3532; 9.8851
90; 90; 90
2703.3Tarahhomi, Atekeh; Pourayoubi, Mehrdad; Golen, James A.; Zargaran, Poorya; Elahi, Behrouz; Rheingold, Arnold L.; Leyva Ramírez, Marco A.; Mancilla Percino, Teresa
Hirshfeld surface analysis of new phosphoramidates
Acta Crystallographica Section B, 2013, 69, 260-270
2105476 CIF
Paper
I3 Nb10 Se40P 4/m c c9.4644; 9.4644; 31.9063
90; 90; 90
2858Zubko, Maciej; Kusz, Joachim; Prodan, Albert; Šturm, Sašo; van Midden, Herman J. P.; Bennett, J. Craig; Dubin, Grzegorz; Zupanič, Erik; Böhm, Horst
Structural phase transition and related electronic properties in quasi-one-dimensional (NbSe~4~)~10/3~I
Acta Crystallographica Section B, 2013, 69, 229-237
2105477 CIF
Paper
I3 Nb10 Se40P 1 2/c 19.4415; 9.4235; 31.883
90; 92.352; 90
2834.3Zubko, Maciej; Kusz, Joachim; Prodan, Albert; Šturm, Sašo; van Midden, Herman J. P.; Bennett, J. Craig; Dubin, Grzegorz; Zupanič, Erik; Böhm, Horst
Structural phase transition and related electronic properties in quasi-one-dimensional (NbSe~4~)~10/3~I
Acta Crystallographica Section B, 2013, 69, 229-237
2105479 CIF
HKL
Paper
C2 H6 N2 SP -17.6615; 7.6945; 8.0283
78.182; 73.785; 81.448
442.71Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena
Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns
Acta Crystallographica Section B, 2013, 69, 405-413
2105480 CIF
HKL
Paper
C3 H8 N2 SP b c a6.15884; 11.5953; 14.639
90; 90; 90
1045.42Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena
Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns
Acta Crystallographica Section B, 2013, 69, 405-413
2105481 CIF
HKL
Paper
C6 H15 N3 O SP 1 21/n 16.56953; 8.7346; 16.2322
90; 96.964; 90
924.57Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena
Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns
Acta Crystallographica Section B, 2013, 69, 405-413
2105482 CIF
HKL
Paper
C5 H12 N2 O SP 1 21/c 16.4979; 7.0116; 16.7097
90; 92.982; 90
760.27Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena
Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns
Acta Crystallographica Section B, 2013, 69, 405-413
2105483 CIF
HKL
Paper
C5 H12 N2 O SP -16.847; 7.0982; 8.6412
106.676; 105.448; 90.679
386Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena
Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns
Acta Crystallographica Section B, 2013, 69, 405-413
2105484 CIF
HKL
Paper
C5 H12 N2 SC 1 2/c 15.4621; 12.0353; 10.9309
90; 95.641; 90
715.1Jones, Peter G.; Taouss, Christina; Teschmit, Nicole; Thomas, Lena
Methylthioureas and their morpholine and dioxane adducts; hydrogen-bonding patterns
Acta Crystallographica Section B, 2013, 69, 405-413
2105485 CIF
Paper
H13 N3 O8 S2P -18.282; 10.095; 11.613
90.44; 110.07; 100.64
893.6Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot
Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions
Acta Crystallographica Section B, 2013, 69, 336-343
2105486 CIF
HKL
Paper
H13 N3 O8 S2P 1 2/n 115.473; 5.849; 10.131
90; 101.75; 90
897.7Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot
Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions
Acta Crystallographica Section B, 2013, 69, 336-343
2105487 CIF
HKL
Paper
H13 N3 O8 S2P 1 2/n 115.534; 5.825; 10.089
90; 101.52; 90
894.5Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot
Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions
Acta Crystallographica Section B, 2013, 69, 336-343
2105488 CIF
Paper
H13 N3 O8 S2P 1 2/n 115.538; 11.641; 10.085
90; 101.46; 90
1787.8Sohn, Yoo Jung; Sparta, Karine M.; Prinz, Sebastian; Meven, Martin; Roth, Georg; Heger, Gernot
Proton ordering in (NH~4~)~3~H(SO~4~)~2~ at low-temperature phase transitions
Acta Crystallographica Section B, 2013, 69, 336-343
2105489 CIF
Paper
H12 Li4 O12 P2I a -312.7; 12.7; 12.7
90; 90; 90
2048.4Kinzhybalo, Vasyl; Mermer, Adrian; Lis, Tadeusz; Starynowicz, Przemysław
Electron density distribution in tetralithium hypodiphosphate hexahydrate, Li~4~P~2~O~6~·6H~2~O
Acta Crystallographica Section B, 2013, 69, 344-355
2105490 CIF
HKL
Paper
C22 H24 Cl N5 O2P 1 21/c 120.214; 6.8155; 15.863
90; 109.604; 90
2058.7Bruni, Giovanna; Maietta, Mariarosa; Scotti, Federico; Maggi, Lauretta; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Berbenni, Vittorio; Milanese, Chiara; Girella, Alessandro; Marini, Amedeo
Structure and properties of domperidone and its succinate salt
Acta Crystallographica Section B, 2013, 69, 362-370
2105491 CIF
HKL
Paper
C26 H30 Cl N5 O6P -16.3869; 8.9838; 23.094
89.89; 82.52; 86.52
1311.4Bruni, Giovanna; Maietta, Mariarosa; Scotti, Federico; Maggi, Lauretta; Bini, Marcella; Ferrari, Stefania; Capsoni, Doretta; Boiocchi, Massimo; Berbenni, Vittorio; Milanese, Chiara; Girella, Alessandro; Marini, Amedeo
Structure and properties of domperidone and its succinate salt
Acta Crystallographica Section B, 2013, 69, 362-370
2105492 CIF
Paper
C8 H14 N2 O2P 1 21/c 19.5932; 7.8325; 11.9547
90; 103.83; 90
872.22Herman, Christelle; Vermylen, Valérie; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom
The importance of screening solid-state phases of a racemic modification of a chiral drug: thermodynamic and structural characterization of solid-state phases of etiracetam
Acta Crystallographica Section B, 2013, 69, 371-378
2105493 CIF
Paper
C8 H14 N2 O2P 1 21/c 19.302; 11.5223; 8.4172
90; 95.966; 90
897.27Herman, Christelle; Vermylen, Valérie; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom
The importance of screening solid-state phases of a racemic modification of a chiral drug: thermodynamic and structural characterization of solid-state phases of etiracetam
Acta Crystallographica Section B, 2013, 69, 371-378
2105494 CIF
Paper
C8 H16 N2 O3P -17.2006; 7.9639; 9.5468
85.293; 76.031; 70.023
499.3Herman, Christelle; Vermylen, Valérie; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom
The importance of screening solid-state phases of a racemic modification of a chiral drug: thermodynamic and structural characterization of solid-state phases of etiracetam
Acta Crystallographica Section B, 2013, 69, 371-378
2105496 CIF
Paper
C6 H8 Fe O8P 21 21 215.947; 10.4021; 13.5773
90; 90; 90
839.91Birsa Čelič, Tadeja; Jagličič, Zvonko; Lazar, Karoly; Zabukovec Logar, Nataša
Structure and magnetic properties of a new iron(II) citrate coordination polymer
Acta Crystallographica Section B, 2013, 69, 490-495
2105497 CIF
Paper
C16 H32 Cr N8 O12 Rh4I 41/a :29.4384; 9.4384; 29.75
90; 90; 90
2650.2Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105498 CIF
Paper
C16 H32 Mo N8 O12 Rh4I 41/a :29.5725; 9.5725; 29.627
90; 90; 90
2714.8Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105499 CIF
Paper
C16 H32 N8 O12 Rh4 WI 41/a :29.5905; 9.5905; 29.625
90; 90; 90
2724.8Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105500 CIF
Paper
C16 H32 Cr N8 O12 Ru4I 41/a :29.4232; 9.4232; 30.168
90; 90; 90
2678.8Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105501 CIF
Paper
C16 H32 Mo N8 O12 Ru4I 41/a :29.5504; 9.5504; 29.933
90; 90; 90
2730.2Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105502 CIF
Paper
C16 H32 N8 O12 Ru4 WI 41/a :29.5668; 9.5668; 29.98
90; 90; 90
2743.9Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105503 CIF
Paper
C24 H50.16 Cr N8 O13.08 Rh4P -112.978; 13.576; 14.498
112.405; 101.362; 106.816
2119.9Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105504 CIF
Paper
C24 H52.88 Mo N8 O14.44 Rh4P -112.952; 13.849; 14.679
112.46; 99.574; 108.472
2180.4Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105505 CIF
Paper
C32 H64 Mo N8 O12 Rh4P -115.567; 15.778; 19.221
87.72; 89.872; 78.448
4622Ebihara, Masahiro; Fuma, Yasuhiro
Two- and three-dimensional assembled structures constructed from amidate-bridged paddlewheel complexes with group 6 oxometallate ions
Acta Crystallographica Section B, 2013, 69, 480-489
2105506 CIF
Paper
C10 H14 O5X c37.8883; 4.7233; 11.6835
90; 90; 90
2090.9Jahangiri, Amita; Fleckhaus, Andre; Lidin, Sven; Strand, Daniel
Allotwinning in a molecular crystal: (1<i>R</i>,3<i>S</i>)-dimethyl 2-oxocyclohexane-1,3-dicarboxylate
Acta Crystallographica Section B, 2013, 69, 509-513
2105683 CIF
Paper
C4 H10 Ag2 N4 O10P 1 21 15.451; 19.493; 5.441
90; 100.12; 90
569.1Choudhury, R. R.; Chitra, R.; Aliouane, N.; Schefer, J.
Ferroelectric glycine silver nitrate: a single-crystal neutron diffraction study
Acta Crystallographica Section B, 2013, 69, 595-602
2105684 CIF
Paper
C4 H10 Ag2 N4 O10P 1 21/a 15.451; 19.493; 5.541
90; 100.2; 90
579.5Choudhury, R. R.; Chitra, R.; Aliouane, N.; Schefer, J.
Ferroelectric glycine silver nitrate: a single-crystal neutron diffraction study
Acta Crystallographica Section B, 2013, 69, 595-602
2105685 CIF
Paper
Mg2 O6 Si2C 1 2/c 19.5387; 8.6601; 5.262
90; 108.701; 90
411.72Yoshiasa, Akira; Nakatsuka, Akihiko; Okube, Maki; Katsura, Tomoo
Single-crystal metastable high-temperature <i>C</i>2/<i>c</i> clinoenstatite quenched rapidly from high temperature and high pressure
Acta Crystallographica Section B, 2013, 69, 541-546

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