Crystallography Open Database
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Searching journal of publication like 'Journal of Molecular Structure'
COD ID  |
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Space group |
Cell parameters | Cell volume |
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|---|---|---|---|---|---|---|
| 1100985 | CIF | C20 H12.4 O2 | P n m a | 13.984; 12.722; 8.024 90; 90; 90 | 1427.5 | Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties Journal of Molecular Structure, 2005, 737, 1-6 |
| 1100989 | CIF | C3 H8 N2 O | P 1 21/c 1 | 8.315; 7.046; 9.099 90; 107.483; 90 | 508.4 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1100991 | CIF | C6 H14 N4 O2 | C 1 2/c 1 | 13.092; 7.247; 9.288 90; 103.348; 90 | 857.4 | Eda, Kazuo; Okazaki, Tadashi; Yamamura, Kimiaki; Hashimoto, Masao Three-dimensional supramolecular assembly having infinite two-dimensional interlocking networks built up only from simple and non-rigid organic molecules via hydrogen bonds. Crystal structures of α,ω-diureidoalkanes H~2~N(CO)NH‒(CH~2~)n‒NH(CO)NH~2~ with n=4 and 5 Journal of Molecular Structure, 2005, 752, 93-97 |
| 1100992 | CIF | C5 H12 N2 O | P 1 21/c 1 | 4.6629; 5.7364; 25.863 90; 94.627; 90 | 689.5 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1100994 | CIF | C7 H16 N4 O2 | P c c n | 8.2002; 13.084; 9.2354 90; 90; 90 | 990.8 | Eda, Kazuo; Okazaki, Tadashi; Yamamura, Kimiaki; Hashimoto, Masao Three-dimensional supramolecular assembly having infinite two-dimensional interlocking networks built up only from simple and non-rigid organic molecules via hydrogen bonds. Crystal structures of α,ω-diureidoalkanes H~2~N(CO)NH–(CH~2~)n–NH(CO)NH~2~ with n=4 and 5 Journal of Molecular Structure, 2005, 752, 93-97 |
| 1100995 | CIF | C6 H14 N2 O | P 1 21/c 1 | 13.026; 7.2083; 9.277 90; 110.861; 90 | 813.9 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1100996 | CIF | C7 H16 N2 O | P 1 21/c 1 | 12.976; 7.4298; 9.287 90; 92.73; 90 | 894.4 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1100998 | CIF | C8 H18 N2 O | P 1 21/c 1 | 14.407; 7.529; 9.318 90; 102.426; 90 | 987.1 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101000 | CIF | C9 H20 N2 O | P 1 21/c 1 | 16.407; 7.558; 9.321 90; 93.17; 90 | 1154 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101001 | CIF | C9 H20 N2 O | C 1 2/c 1 | 32.02; 7.4123; 9.3147 90; 97.939; 90 | 2189.6 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101002 | CIF | C10 H22 N2 O | P 1 21/c 1 | 17.774; 7.4623; 9.264 90; 103.726; 90 | 1193.7 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101004 | CIF | C11 H24 N2 O | P 1 21/c 1 | 18.336; 7.5383; 9.2943 90; 94.584; 90 | 1280.5 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101005 | CIF | C11 H24 N2 O | P 1 21/c 1 | 18.007; 7.5233; 9.2731 90; 96.371; 90 | 1248.5 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101007 | CIF | C12 H26 N2 O | P 1 21/c 1 | 19.617; 7.5941; 9.3394 90; 97.54; 90 | 1379.3 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101008 | CIF | C13 H28 N2 O | C 1 2/c 1 | 42.43; 7.5982; 9.295 90; 95.624; 90 | 2982.3 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101009 | CIF | C13 H28 N2 O | P 1 21/c 1 | 21.1; 7.364; 9.2 90; 95.085; 90 | 1423.8 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101010 | CIF | C14 H30 N2 O | P 1 21/c 1 | 23.124; 7.542; 9.299 90; 99.751; 90 | 1598.3 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101011 | CIF | C14 H30 N2 O | P 1 21/c 1 | 22.936; 7.4127; 9.314 90; 99.29; 90 | 1562.8 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101012 | CIF | C14 H30 N2 O | P 1 21/c 1 | 21.986; 7.405; 9.313 90; 93.909; 90 | 1512.7 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101013 | CIF | C15 H32 N2 O | P 1 21/c 1 | 23.601; 7.639; 9.326 90; 94.882; 90 | 1675.4 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101014 | CIF | C15 H32 N2 O | P 1 21/c 1 | 23.257; 7.4723; 9.269 90; 90.332; 90 | 1610.8 | Hashimoto, Masao; Tajima, Fukue; Eda, Kazuo; Yamamura, Kimiaki; Okazaki, Tadashi Exploration of plastic-like phases in alkylurea systems. A thermal and X-ray study Journal of Molecular Structure, 2005, 734, 23-33 |
| 1101055 | CIF | C20 H14 O2 | P 63 | 27.864; 27.864; 12.983 90; 90; 120 | 8729.7 | Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties Journal of Molecular Structure, 2005, 737, 1-6 |
| 1101090 | CIF | C5 H5 N4 O1.5 | C 1 2/c 1 | 28.836; 3.6902; 12.116 90; 109.763; 90 | 1213.3 | Mohammad Abul Haj; Juan M. Salas; Miguel Quirós; José Molina; René Faure 5-Oxo and 7-oxo derivatives of [1,2,4]triazolo-[1,5-a]pyrimidine: characterization and theoretical study Journal of Molecular Structure, 2000, 519, 165-172 |
| 1101126 | CIF | C6 H9 N5 O3 | P 1 21/n 1 | 10.679; 5.814; 13.794 90; 97.31; 90 | 849.5 | M. Purificación Sánchez; M. Angustias Romero; Juan M. Salas; Diego J. Cárdenas; José Molina; Miguel Quirós Molecular orbital study of 8-azaxanthine derivatives and crystal structure of 1,3-dimethyl-8-azaxanthine monohydrate Journal of Molecular Structure, 1995, 344, 257-264 |
| 1500002 | CIF | C14 H22 Cd Cl4 N8 O2 | C 1 2/c 1 | 13.786; 9.4013; 17.6679 90; 98.672; 90 | 2263.7 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives Journal of Molecular Structure, 2008, 882, 30-34 |
| 1500004 | CIF | C5 H5 Cd Cl3 N4 | P 1 21/c 1 | 11.7543; 12.6823; 6.6836 90; 96.71; 90 | 989.51 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives Journal of Molecular Structure, 2008, 882, 30-34 |
| 1500005 | CIF | As3 Co2 H47 N12 O16 | P c c n | 27.4534; 13.1997; 14.468 90; 90; 90 | 5242.9 | Ritu Bala; Raj Pal Sharma; Rajni Sharma; Juan M. Salas; Miguel Quirós; William T.A. Harrison Cationic cobaltammines as anion receptors: Synthesis, characterization an X-ray structure of bis-(hexaamminecobalt(III)) tris-(hydrogenarsenate) tetrahydrate Journal of Molecular Structure, 2007, 828, 174-180 |
| 1500006 | CIF | C11 H21.5 Cl Co N11 O5.25 | C 1 2/c 1 | 21.9843; 8.7959; 23.0121 90; 116.426; 90 | 3984.9 | Rajni Sharma; Raj Pal Sharma; Paloth Venugopalan; Miguel Quirós; Juan M. Salas; J. Yu; Y. Du Capture of aromatic carboxylate anion through second sphere coordination: Topological complementarity of [cis-Co(en)~2~(N~3~)~2~]^+^ and C~7~H~3~ClNO~4~^-^ ions Journal of Molecular Structure, 2008, 885, 7-14 |
| 1500007 | CIF | C8 H32 Br4 Cd Cl4 Co2 N8 | P b c a | 18.6201; 12.0872; 24.0877 90; 90; 90 | 5421.3 | Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós Second sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterisation of [trans-Co(en)~2~Cl~2~]CdX~4~ (X = Br or I) and single crystal X-ray structure determination of [trans-Co(en)~2~Cl~2~]CdBr~4~ Journal of Molecular Structure, 2006, 794, 341-347 |
| 1500009 | CIF | C8 H26 Co N7 O8 | P 1 21/c 1 | 10.2635; 9.048; 9.752 90; 104.493; 90 | 876.8 | Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl Journal of Molecular Structure, 2006, 784, 222-227 |
| 1500010 | CIF | C4 H18 Co N7 O8 | P 1 21/m 1 | 6.1926; 18.248; 6.2335 90; 90.078; 90 | 704.41 | Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl Journal of Molecular Structure, 2006, 784, 222-227 |
| 1511772 | CIF | C14 H16 Ag2 N10 O6 | P -1 | 5.1295; 9.6009; 10.332 103.73; 99.14; 97.67 | 480.18 | M. Angustias Romero; Juan M. Salas; Miguel Quirós; M. Purificación Sánchez; José Molina; Jaouad El Bahraoui; René Faure Structural and ab initio Studies of Ag-Ag Bonding in the Silver(I) Dimer Bis-μ-(5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine)dinitrato Disilver(I) Journal of Molecular Structure, 1995, 354, 189-195 |
| 1511775 | CIF | C5 H7 N4 Na O4 | P 1 21/c 1 | 7.239; 15.209; 7.56 90; 98.89; 90 | 822.3 | Sonia Orihuela; M. Purificación Sánchez; Miguel Quirós; José Molina; René Faure 4,5,6,7-Tetrahydro-5,7-dioxo-[1,2,4]triazolo-[1,5-a]pyrimidine: Characterisation and Theoretical Study Journal of Molecular Structure, 1997, 415, 285-292 |
| 1512984 | CIF | C22 H26 N4 O4 | P -1 | 7.375; 8.391; 9.373 93.882; 107.122; 103.957 | 531.9 | Amal Cherian Kathalikkattil; Subin Damodaran; Kamal Kumar Bisht; Eringathodi Suresh Hydrogen bonded binary molecular adducts derived from exobidentate N-donor ligand with dicarboxylic acids: Acid⋯imidazole hydrogen-bonding interactions in neutral and ionic heterosynthons Journal of Molecular Structure, 2011, 985, 361-370 |
| 1512985 | CIF | C19 H21 N2 O7 | P 1 21/n 1 | 16.026; 7.019; 16.492 90; 96.453; 90 | 1843.4 | Amal Cherian Kathalikkattil; Subin Damodaran; Kamal Kumar Bisht; Eringathodi Suresh Hydrogen bonded binary molecular adducts derived from exobidentate N-donor ligand with dicarboxylic acids: Acid⋯imidazole hydrogen-bonding interactions in neutral and ionic heterosynthons Journal of Molecular Structure, 2011, 985, 361-370 |
| 1512986 | CIF | C24 H26 N8 O10 | P 1 21/n 1 | 4.1521; 20.659; 15.696 90; 95.218; 90 | 1340.8 | Amal Cherian Kathalikkattil; Subin Damodaran; Kamal Kumar Bisht; Eringathodi Suresh Hydrogen bonded binary molecular adducts derived from exobidentate N-donor ligand with dicarboxylic acids: Acid⋯imidazole hydrogen-bonding interactions in neutral and ionic heterosynthons Journal of Molecular Structure, 2011, 985, 361-370 |
| 1512987 | CIF | C19 H20 N6 O5 | P -1 | 7.4847; 11.6703; 12.2231 112.355; 100.143; 97.136 | 950.3 | Amal Cherian Kathalikkattil; Subin Damodaran; Kamal Kumar Bisht; Eringathodi Suresh Hydrogen bonded binary molecular adducts derived from exobidentate N-donor ligand with dicarboxylic acids: Acid⋯imidazole hydrogen-bonding interactions in neutral and ionic heterosynthons Journal of Molecular Structure, 2011, 985, 361-370 |
| 1512990 | CIF | C20 H22 Cl4 Co N2 O3 | P -1 | 8.1498; 8.569; 16.9722 97.46; 93.936; 101.587 | 1145.79 | Kamal Kumar Bisht; Amal Cherian Kathalikkattil; Suresh Eringathodi Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations Journal of Molecular Structure, 2012, 1013, 102-110 |
| 1512991 | CIF | C20 H22 Cl4 N2 O3 Zn | P -1 | 8.1684; 8.6173; 17.17 97.796; 93.831; 102.295 | 1164.2 | Kamal Kumar Bisht; Amal Cherian Kathalikkattil; Suresh Eringathodi Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations Journal of Molecular Structure, 2012, 1013, 102-110 |
| 1512992 | CIF | C20 H22 Cl4 Cu N2 O2 | P -1 | 8.077; 8.6476; 17.209 99.131; 101.853; 98.832 | 1139.7 | Kamal Kumar Bisht; Amal Cherian Kathalikkattil; Suresh Eringathodi Exploring supramolecular interactions between inorganic tetrachlorometallate and organic pyridinium dication: Synthesis, characterization and structural investigations Journal of Molecular Structure, 2012, 1013, 102-110 |
| 1513054 | CIF | C6 H13 Cl2 N O | P -1 | 7.022; 8.236; 8.684 63.397; 85.326; 85.478 | 447.1 | Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts Experimental and theoretical study Journal of Molecular Structure, 2013, 1036, 226 |
| 1513055 | CIF | C7 H15 Cl2 N | P n m a | 7.078; 8.035; 17.775 90; 90; 90 | 1010.9 | Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts Experimental and theoretical study Journal of Molecular Structure, 2013, 1036, 226 |
| 1513056 | CIF | C7 H3 Cl2 N | P n m a | 7.1481; 8.076; 18.627 90; 90; 90 | 1075.3 | Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts Experimental and theoretical study Journal of Molecular Structure, 2013, 1036, 226 |
| 1513057 | CIF | C14 H20 Cl N O6 S | P b c a | 13.526; 15.045; 16.533 90; 90; 90 | 3364.4 | Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts Experimental and theoretical study Journal of Molecular Structure, 2013, 1036, 226 |
| 1513058 | CIF | C15 H22 Cl N O6 S | P 21 21 21 | 8.598; 13.739; 14.788 90; 90; 90 | 1746.9 | Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts Experimental and theoretical study Journal of Molecular Structure, 2013, 1036, 226 |
| 1513059 | CIF | C13 H18 Cl N O6 S | P -1 | 8.644; 9.085; 11.673 104.782; 104.882; 105.085 | 802.9 | Ivanova, Bojidarka; Spiteller, Michael Factors stabilizing the gas-phase ionic species of crystals of organic salts Experimental and theoretical study Journal of Molecular Structure, 2013, 1036, 226 |
| 1513063 | CIF | C36 H39 N O | P 21 21 21 | 9.8714; 15.9402; 18.5446 90; 90; 90 | 2918 | Ivanova, Bojidarka; Spiteller, Michael Conformation, optical properties, and absolute configuration of 2',3'-Isopropylideneadenosines: theoretical vs. experimental study Journal of Molecular Structure, 2011, 1004, 303 |
| 1513075 | CIF | C14 H23 N4 O6 | P c a 21 | 10.466; 18.241; 8.265 90; 90; 90 | 1577.9 | Ivanova, Bojidarka Solid-state Raman spectra of non-centrosymmetric crystals theoretical vs. experimental study towards an application in THz-regime Journal of Molecular Structure, 2012, 1016, 47 |
| 1513163 | CIF | C7 H6 O8 S | P -1 | 6.925; 6.967; 11.48 83.184; 74.285; 70.771 | 503.2 | Ivanova, Bojidarka; Spiteller, Michael NPhysical optical properties and crystal structures of organic 5-sulfosalicylatestheoretical and experimental study Journal of Molecular Structure, 2011, 1003, 1-9 |
| 1513164 | CIF | C21 H21 N3 O13 S2 | P 1 21/n 1 | 7.1585; 9.3512; 35.924 90; 90.216; 90 | 2404.8 | Ivanova, Bojidarka; Spiteller, Michael NPhysical optical properties and crystal structures of organic 5-sulfosalicylatestheoretical and experimental study Journal of Molecular Structure, 2011, 1003, 1-9 |
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