Crystallography Open Database

Result : There are 128 entries in the selection

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Searching journal of publication like 'IUCrJ' volume of publication is 2

COD ID: 1542771
CIF file

Original IUCr paper

 Formula: - C36 H30 B Cl F4 N2 O2 P2 Ru -
Comments: Casaretto, Nicolas; Pillet, Sebastien; Bendeif, El Eulmi; Schaniel, Dominik; Gallien, Anna K. E.; Klüfers, Peter; Woike, Theo Multiple light-induced NO linkage isomers in the dinitrosyl complex [RuCl(NO)~2~(PPh~3~)~2~]BF~4~ unravelled by photocrystallographic and IR analysis IUCrJ 2(1) (2015) 35-44
Space group: P 1 21/c 1
Cell volume: 3419.8
Cell parameters: 19.0673; 9.8391; 20.5654; 90; 117.58; 90;  

COD ID: 1542772
CIF file Formula: - C4 H12 K Na O10 -
Comments: Mo, Frode; Mathiesen, Ragnvald H.; Beukes, Jon Are; Vu, Khanh Minh Rochelle salt ‒ a structural reinvestigation with improved tools. I. The high-temperature paraelectric phase at 308K IUCrJ 2(1) (2015) 19-28
Space group: P 21 21 2
Cell volume: 1065.31
Cell parameters: 11.9247; 14.3066; 6.2444; 90; 90; 90;  

COD ID: 1542773
CIF file Formula: - C61 H40 Ag4 F28 N4 O8 -
Comments: Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ 2(2) (2015) 188-197
Space group: P -1
Cell volume: 1637.3
Cell parameters: 10.6531; 11.2628; 14.4311; 72.401; 86.598; 82.882;  

COD ID: 1542774
CIF file Formula: - C28 H18 Ag2 F14 N2 O4 -
Comments: Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ 2(2) (2015) 188-197
Space group: P 1 21/c 1
Cell volume: 3095.07
Cell parameters: 11.1146; 22.7107; 13.2046; 90; 111.785; 90;  

COD ID: 1542775
CIF file Formula: - C28 H18 Ag2 F14 N2 O4 -
Comments: Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ 2(2) (2015) 188-197
Space group: P 1 21/c 1
Cell volume: 3146.5
Cell parameters: 11.375; 22.5963; 13.346; 90; 113.472; 90;  

COD ID: 1542776
CIF file Formula: - C20 H8 Ag2 F14 N2 O4 -
Comments: Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ 2(2) (2015) 188-197
Space group: C 1 2/c 1
Cell volume: 4780
Cell parameters: 27.578; 9.267; 21.211; 90; 118.142; 90;  

COD ID: 1542777
CIF file Formula: - C20 H8 Ag2 F14 N2 O4 -
Comments: Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ 2(2) (2015) 188-197
Space group: P -1
Cell volume: 1241.4
Cell parameters: 10.782; 11.006; 12.54; 71.569; 76.089; 62.229;  

COD ID: 1542778
CIF file Formula: - C62.275 H42.55 Ag4 F28 N4 O8 -
Comments: Wright, James S.; Vitórica-Yrezábal, Iñigo J.; Adams, Harry; Thompson, Stephen P.; Hill, Adrian H.; Brammer, Lee Solvent-vapour-assisted pathways and the role of pre-organization in solid-state transformations of coordination polymers IUCrJ 2(2) (2015) 188-197
Space group: P -1
Cell volume: 1621.6
Cell parameters: 10.6658; 11.2395; 14.325; 72.054; 86.608; 83.149;  

COD ID: 1542779
CIF file Formula: - C54 H42 N2 O8 Zn2 -
Comments: Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ 2(3) (2015) 317-321
Space group: C 1 c 1
Cell volume: 4507.9
Cell parameters: 24.843; 12.245; 15.7202; 90; 109.498; 90;  

COD ID: 1542780
CIF file Formula: - C54 H42 N2 O8 Zn2 -
Comments: Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ 2(3) (2015) 317-321
Space group: C 1 c 1
Cell volume: 4467.2
Cell parameters: 24.746; 12.2117; 15.6525; 90; 109.192; 90;  

COD ID: 1542781
CIF file Formula: - C54 H42 N2 O8 Zn2 -
Comments: Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ 2(3) (2015) 317-321
Space group: C 1 c 1
Cell volume: 4503
Cell parameters: 24.817; 12.241; 15.714; 90; 109.39; 90;  

COD ID: 1542782
CIF file Formula: - C54 H42 N2 O8 Zn2 -
Comments: Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ 2(3) (2015) 317-321
Space group: C 1 c 1
Cell volume: 4418.7
Cell parameters: 24.638; 12.1718; 15.5632; 90; 108.782; 90;  

COD ID: 1542783
CIF file Formula: - C54 H42 N2 O8 Zn2 -
Comments: Nalla, Venkatram; Medishetty, Raghavender; Wang, Yue; Bai, Zhaozhi; Sun, Handong; Wei, Ji.; Vittal, Jagadese J. Second harmonic generation from the `centrosymmetric' crystals IUCrJ 2(3) (2015) 317-321
Space group: C 1 c 1
Cell volume: 4376.8
Cell parameters: 24.525; 12.1433; 15.4964; 90; 108.492; 90;  

COD ID: 1542784
CIF file Formula: - C39 H46 N6 O7 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P 1 c 1
Cell volume: 1826.6
Cell parameters: 9.076; 8.9616; 22.501; 90; 93.554; 90;  

COD ID: 1542785
CIF file Formula: - C31 H34 N4 O7 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P 1 21/c 1
Cell volume: 2885.7
Cell parameters: 15.831; 9.3122; 20.211; 90; 104.415; 90;  

COD ID: 1542786
CIF file Formula: - C27 H30 N2 O9 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1274.26
Cell parameters: 9.3506; 10.912; 13.002; 76.798; 84.048; 81.58;  

COD ID: 1542787
CIF file Formula: - C27 H30 N2 O8 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1266
Cell parameters: 9.3202; 10.7538; 12.9869; 79.471; 85.133; 82.377;  

COD ID: 1542788
CIF file Formula: - C29 H26 N2 O9 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1268.3
Cell parameters: 9.8334; 10.7098; 13.079; 102.815; 95.031; 106.846;  

COD ID: 1542789
CIF file Formula: - C29 H18 N2 O8 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1271.6
Cell parameters: 9.806; 10.778; 13.055; 102.833; 94.525; 106.943;  

COD ID: 1542790
CIF file Formula: - C30 H22 N3 O7 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1276.9
Cell parameters: 9.844; 10.636; 13.071; 98.324; 94.601; 107.947;  

COD ID: 1542791
CIF file Formula: - C45 H36 N6 O8 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1860.6
Cell parameters: 10.0222; 12.8756; 15.0597; 81.685; 83.118; 76.273;  

COD ID: 1542792
CIF file Formula: - C31 H28 N2 O9 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1367.8
Cell parameters: 10.1899; 11.6532; 13.0214; 97.351; 95.446; 115.237;  

COD ID: 1542793
CIF file Formula: - C31 H28 N2 O8 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1340.13
Cell parameters: 10.0381; 11.5707; 13.0194; 76.744; 84.502; 65.573;  

COD ID: 1542794
CIF file Formula: - C30 H26 N3 O8 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1322.2
Cell parameters: 9.9867; 11.2949; 13.04; 79.558; 85.192; 66.082;  

COD ID: 1542795
CIF file Formula: - C39 H30 N4 O7 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P 1 21/c 1
Cell volume: 3165.5
Cell parameters: 18.0656; 11.6584; 16.661; 90; 115.565; 90;  

COD ID: 1542796
CIF file Formula: - C27 H20 N2 O7 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: C 1 2/c 1
Cell volume: 4376.1
Cell parameters: 21.831; 12.904; 15.876; 90; 101.912; 90;  

COD ID: 1542797
CIF file Formula: - C31 H30 N2 O8 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1336.8
Cell parameters: 9.8782; 11.5881; 13.041; 76.595; 85.792; 67.035;  

COD ID: 1542798
CIF file Formula: - C39 H34 N4 O7 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P 1 21/c 1
Cell volume: 3300.2
Cell parameters: 20.028; 10.5025; 16.5786; 90; 108.851; 90;  

COD ID: 1542799
CIF file Formula: - C27 H22 N2 O7 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P 1 21/c 1
Cell volume: 4569.7
Cell parameters: 13.3624; 10.554; 32.5542; 90; 95.517; 90;  

COD ID: 1542800
CIF file Formula: - C29 H26 N4 O8 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1327.7
Cell parameters: 10.0918; 11.4244; 13.052; 98.573; 95.19; 115.078;  

COD ID: 1542801
CIF file Formula: - C25 H18 N4 O7 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: C 1 2/c 1
Cell volume: 4286.2
Cell parameters: 21.647; 12.8623; 15.712; 90; 101.543; 90;  

COD ID: 1542802
CIF file Formula: - C31 H26 N2 O9 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1308.1
Cell parameters: 8.1859; 12.787; 13.173; 83.634; 83.848; 73.246;  

COD ID: 1542803
CIF file Formula: - C33 H22 N3 O7 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1293.8
Cell parameters: 8.416; 12.297; 13.111; 87.1; 84.103; 73.503;  

COD ID: 1542804
CIF file Formula: - C58 H42 N7 O8 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 2313.09
Cell parameters: 9.9945; 13.4346; 17.822; 81.016; 78.335; 86.046;  

COD ID: 1542805
CIF file Formula: - C33 H22 N3 O8 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1312.95
Cell parameters: 9.48; 11.2614; 13.5129; 104.785; 108.855; 90.687;  

COD ID: 1542806
CIF file Formula: - C33 H22 N3 O7 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1271.77
Cell parameters: 4.983; 15.381; 18.142; 112.21; 94.99; 94.92;  

COD ID: 1542807
CIF file Formula: - C29 H21 N2 O7 S -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1247.8
Cell parameters: 9.8066; 10.4874; 13.0073; 97.993; 94.646; 108.15;  

COD ID: 1542808
CIF file Formula: - C69 H50 N6 O14 S6 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 3040.5
Cell parameters: 12.547; 13.299; 18.49; 94.246; 90.204; 98.776;  

COD ID: 1542809
CIF file Formula: - C30 H20 N2 O7 S -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1330.63
Cell parameters: 9.974; 11.421; 13.009; 78.51; 85.22; 66.39;  

COD ID: 1542810
CIF file Formula: - C90 H63 N6 O14 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 3440.59
Cell parameters: 12.664; 13.235; 22.191; 104.03; 96.59; 104.04;  

COD ID: 1542811
CIF file Formula: - C34 H24 N2 O7 -
Comments: Dubey, Ritesh; Desiraju, Gautam R. Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids IUCrJ 2(4) (2015) 402-408
Space group: P -1
Cell volume: 1331.01
Cell parameters: 10.5919; 11.6067; 11.6919; 85.133; 72.938; 75.632;  

COD ID: 1542812
CIF file

Original IUCr paper

 Formula: - C12 H19 N3 O3 S -
Comments: Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ 2(4) (2015) 389-401
Space group: P 1 21/n 1
Cell volume: 1458.61
Cell parameters: 7.2731; 15.9052; 12.7766; 90; 99.291; 90;  

COD ID: 1542813
CIF file

Original IUCr paper

 Formula: - C13 H20 N2 O3 S -
Comments: Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ 2(4) (2015) 389-401
Space group: P 1 21/n 1
Cell volume: 1476.3
Cell parameters: 7.302; 17.189; 12.2835; 90; 106.76; 90;  

COD ID: 1542814
CIF file

Original IUCr paper

 Formula: - C12 H17 Cl N2 O3 S -
Comments: Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ 2(4) (2015) 389-401
Space group: P 21 21 21
Cell volume: 1461.5
Cell parameters: 7.1564; 13.369; 15.276; 90; 90; 90;  

COD ID: 1542815
CIF file

Original IUCr paper

 Formula: - C12 H19 N3 O3 S -
Comments: Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ 2(4) (2015) 389-401
Space group: P 21 21 21
Cell volume: 1429.2
Cell parameters: 7.0957; 13.128; 15.3425; 90; 90; 90;  

COD ID: 1542816
CIF file

Original IUCr paper

 Formula: - C12 H17 Br N2 O3 S -
Comments: Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ 2(4) (2015) 389-401
Space group: P 21 21 21
Cell volume: 1492.5
Cell parameters: 7.156; 13.538; 15.406; 90; 90; 90;  

COD ID: 1542817
CIF file

Original IUCr paper

 Formula: - C12 H18 N2 O3 S -
Comments: Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide‒lactam cocrystals IUCrJ 2(4) (2015) 389-401
Space group: P 1 21/n 1
Cell volume: 1351
Cell parameters: 5.3367; 15.9206; 16.07; 90; 98.308; 90;  

COD ID: 1542818
CIF file

Original IUCr paper

 Formula: - C12 H17 Cl N2 O3 S -
Comments: Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ 2(4) (2015) 389-401
Space group: P 1 21/c 1
Cell volume: 1403
Cell parameters: 9.8782; 14.172; 10.8753; 90; 112.85; 90;  

COD ID: 1542819
CIF file

Original IUCr paper

 Formula: - C12 H18 N2 O3 S -
Comments: Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ 2(4) (2015) 389-401
Space group: P 21 21 21
Cell volume: 1351.4
Cell parameters: 7.07; 12.7624; 14.977; 90; 90; 90;  

COD ID: 1542820
CIF file

Original IUCr paper

 Formula: - C11 H15 Cl N2 O3 S -
Comments: Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ 2(4) (2015) 389-401
Space group: C 1 2/c 1
Cell volume: 2666.2
Cell parameters: 25.701; 6.8096; 19.177; 90; 127.4; 90;  

COD ID: 1542821
CIF file

Original IUCr paper

 Formula: - C11 H15 Br N2 O3 S -
Comments: Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ 2(4) (2015) 389-401
Space group: C 1 2/c 1
Cell volume: 2734.2
Cell parameters: 25.914; 6.8687; 19.202; 90; 126.873; 90;  

COD ID: 1542822
CIF file

Original IUCr paper

 Formula: - C12 H18 N2 O3 S -
Comments: Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ 2(4) (2015) 389-401
Space group: P -1
Cell volume: 692
Cell parameters: 5.21; 8.449; 16.104; 82.894; 82.798; 81.772;  

COD ID: 1542823
CIF file

Original IUCr paper

 Formula: - C11 H15 Cl N2 O3 S -
Comments: Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ 2(4) (2015) 389-401
Space group: P 1 21/c 1
Cell volume: 1342.5
Cell parameters: 10.521; 13.7661; 10.3407; 90; 116.31; 90;  

COD ID: 1542824
CIF file

Original IUCr paper

 Formula: - C11 H16 N2 O3 S -
Comments: Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini Modularity and three-dimensional isostructurality of novel synthons in sulfonamide–lactam cocrystals IUCrJ 2(4) (2015) 389-401
Space group: P 21 21 21
Cell volume: 1275.2
Cell parameters: 7.1043; 12.7937; 14.0302; 90; 90; 90;  

COD ID: 1542825
CIF file Formula: - C65 H67 Mn2 N3 O17 -
Comments: Bajpai, Alankriti; Mukhopadhyay, Arindam; Krishna, Manchugondanahalli Shivakumar; Govardhan, Savitha; Moorthy, Jarugu Narasimha A fluorescent paramagnetic Mn metal‒organic framework based on semi-rigid pyrene tetracarboxylic acid: sensing of solvent polarity and explosive nitroaromatics IUCrJ 2(5) (2015) 552-562
Space group: P 1 21/c 1
Cell volume: 6445.5
Cell parameters: 19.6786; 22.7703; 14.8344; 90; 104.147; 90;  

COD ID: 1542826
CIF file Formula: - C30 H62 -
Comments: Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ 2(5) (2015) 490-497
Space group: P 1 21 1
Cell volume: 1442.4
Cell parameters: 28.172; 4.935; 10.375; 90; 90.3; 90;  

COD ID: 1542827
CIF file Formula: - C30 H62 -
Comments: Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ 2(5) (2015) 490-497
Space group: P 1 21 1
Cell volume: 1426.1
Cell parameters: 18.43381; 7.175975; 11.02071; 90; 101.974; 90;  

COD ID: 1542828
CIF file Formula: - C28 H58 -
Comments: Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ 2(5) (2015) 490-497
Space group: P 1 21 1
Cell volume: 1335.67
Cell parameters: 16.00237; 7.154313; 12.40169; 90; 109.825; 90;  

COD ID: 1542829
CIF file Formula: - C30 H62 -
Comments: Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ 2(5) (2015) 490-497
Space group: P 1 21 1
Cell volume: 1423.14
Cell parameters: 16.0129; 7.14458; 14.09635; 90; 118.06; 90;  

COD ID: 1542830
CIF file Formula: - C26 H54 -
Comments: Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ 2(5) (2015) 490-497
Space group: P 1 21 1
Cell volume: 1258.81
Cell parameters: 21.44393; 4.937406; 12.34557; 90; 105.625; 90;  

COD ID: 1542831
CIF file Formula: - C28 H58 -
Comments: Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ 2(5) (2015) 490-497
Space group: P 1 21 1
Cell volume: 1350.68
Cell parameters: 23.4884; 4.93921; 12.33521; 90; 109.295; 90;  

COD ID: 1542832
CIF file Formula: - C30 H62 -
Comments: Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ 2(5) (2015) 490-497
Space group: P 1 21 1
Cell volume: 1440.84
Cell parameters: 25.6203; 4.93638; 12.32668; 90; 112.448; 90;  

COD ID: 1542833
CIF file Formula: - C32 H66 -
Comments: Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ 2(5) (2015) 490-497
Space group: P 1 21 1
Cell volume: 1530.52
Cell parameters: 27.78145; 4.933812; 12.38987; 90; 115.68; 90;  

COD ID: 1542834
CIF file Formula: - C30 H62 -
Comments: Brooks, Lee; Brunelli, Michela; Pattison, Philip; Jones, Graeme R.; Fitch, Andrew Crystal structures of eight mono-methyl alkanes (C~26~–C~32~) <i>via</i> single-crystal and powder diffraction and DFT-D optimization IUCrJ 2(5) (2015) 490-497
Space group: P 1 21 1
Cell volume: 1436.77
Cell parameters: 28.09291; 4.932501; 10.36893; 90; 90.4059; 90;  

COD ID: 1542835
CIF file Formula: - C11 H12 O4 -
Comments: Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R. Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion IUCrJ 2(6) (2015) 653-660
Space group: P 1 21/c 1
Cell volume: 1009.6
Cell parameters: 11.216; 8.214; 14.073; 90; 128.86; 90;  

COD ID: 1542836
CIF file Formula: - C22 H24 O8 -
Comments: Mishra, Manish Kumar; Mukherjee, Arijit; Ramamurty, Upadrasta; Desiraju, Gautam R. Crystal chemistry and photomechanical behavior of 3,4-dimethoxycinnamic acid: correlation between maximum yield in the solid-state topochemical reaction and cooperative molecular motion IUCrJ 2(6) (2015) 653-660
Space group: P -1
Cell volume: 492.2
Cell parameters: 5.54; 8.259; 11.281; 83.61; 83.275; 74.48;  

COD ID: 1542837
CIF file Formula: - C17 H15 B F2 O4 -
Comments: Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ 2(6) (2015) 611-619
Space group: C 1 2/c 1
Cell volume: 1496.2
Cell parameters: 21.1854; 7.0826; 10.0747; 90; 98.208; 90;  

COD ID: 1542838
CIF file Formula: - C16 H13 B F2 O3 -
Comments: Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure–mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ 2(6) (2015) 611-619
Space group: P -1
Cell volume: 712.78
Cell parameters: 8.0234; 9.0901; 10.7916; 75.514; 80.766; 69.797;  

COD ID: 1542839
CIF file Formula: - C23 H27 B F2 O2 -
Comments: Krishna, Gamidi Rama; Devarapalli, Ramesh; Prusty, Rajesh; Liu, Tiandong; Fraser, Cassandra L.; Ramamurty, Upadrasta; Reddy, Chilla Malla Structure‒mechanical property correlations in mechanochromic luminescent crystals of boron difluoride dibenzoylmethane derivatives IUCrJ 2(6) (2015) 611-619
Space group: C 1 2/c 1
Cell volume: 2023.7
Cell parameters: 28.575; 7.0402; 10.3208; 90; 102.92; 90;  

COD ID: 1556736
CIF file

Original IUCr paper

 Formula: - C13 H22 S Si2 -
Comments: Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ 2(Pt 5) (2015) 584-600
Space group: P -1
Cell volume: 840.86
Cell parameters: 7.2016; 9.7603; 12.2829; 95.4952; 92.51; 101.346;  

COD ID: 1556737
CIF file Formula: - C22 H30 S2 Si2 -
Comments: Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ 2(Pt 5) (2015) 584-600
Space group: C 1 2/c 1
Cell volume: 2400.7
Cell parameters: 34.148; 6.869; 10.3442; 90; 98.343; 90;  

COD ID: 1556738
CIF file Formula: - C22 H30 O4 S2 Si2 -
Comments: Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ 2(Pt 5) (2015) 584-600
Space group: P -1
Cell volume: 1311.34
Cell parameters: 6.8197; 12.1073; 16.1123; 92.3607; 93.9781; 98.3425;  

COD ID: 1556739
CIF file Formula: - C22 H30 O4 S2 Si2 -
Comments: Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ 2(Pt 5) (2015) 584-600
Space group: P -1
Cell volume: 1293.21
Cell parameters: 7.3096; 11.3935; 18.7425; 73.167; 105.319; 118.926;  

COD ID: 1556740
CIF file Formula: - C22 H30 O4 S2 Si2 -
Comments: Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ 2(Pt 5) (2015) 584-600
Space group: P -1
Cell volume: 627.39
Cell parameters: 5.73; 10.2961; 10.9801; 85.9433; 79.7181; 80.115;  

COD ID: 1556741
CIF file Formula: - C22 H32 O2 S3 Si2 -
Comments: Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ 2(Pt 5) (2015) 584-600
Space group: C 1 2/c 1
Cell volume: 5536.7
Cell parameters: 34.344; 8.1665; 20.0791; 90; 100.532; 90;  

COD ID: 1556742
CIF file Formula: - C22 H32 O2 S3 Si2 -
Comments: Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ 2(Pt 5) (2015) 584-600
Space group: P c c n
Cell volume: 5484
Cell parameters: 33.63; 8.271; 19.717; 90; 90; 90;  

COD ID: 1556743
CIF file Formula: - C22 H30 O2 S3 Si2 -
Comments: Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ 2(Pt 5) (2015) 584-600
Space group: C 1 2/c 1
Cell volume: 2684.2
Cell parameters: 31.8766; 8.4003; 10.0737; 90; 95.684; 90;  

COD ID: 1556744
CIF file Formula: - C22 H30 O8 S3 Si2 -
Comments: Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ 2(Pt 5) (2015) 584-600
Space group: P -1
Cell volume: 2856.81
Cell parameters: 10.5399; 13.8276; 19.9987; 79.94; 84.589; 89.771;  

COD ID: 1556745
CIF file Formula: - C22 H38 S2 Si2 -
Comments: Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ 2(Pt 5) (2015) 584-600
Space group: P 21 21 21
Cell volume: 2559.7
Cell parameters: 7.7849; 10.5146; 31.2712; 90; 90; 90;  

COD ID: 1556746
CIF file Formula: - C20 H28 S3 Si2 -
Comments: Lumpi, Daniel; Kautny, Paul; Stöger, Berthold; Fröhlich, Johannes Crystal chemistry of layered structures formed by linear rigid silyl-capped molecules. IUCrJ 2(Pt 5) (2015) 584-600
Space group: I 1 2/c 1
Cell volume: 2350.8
Cell parameters: 34.443; 6.7415; 10.1978; 90; 96.889; 90;  

COD ID: 1556760
CIF file Formula: - C11 H11 N O5 -
Comments: Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ 2(Pt 3) (2015) 341-351
Space group: P -1
Cell volume: 539.85
Cell parameters: 6.5133; 8.1853; 11.4965; 103.458; 93.925; 113.018;  

COD ID: 1556761
CIF file Formula: - C11 H11 N O6 -
Comments: Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ 2(Pt 3) (2015) 341-351
Space group: P -1
Cell volume: 532.43
Cell parameters: 6.7358; 6.9119; 12.3937; 74.468; 85.298; 73.28;  

COD ID: 1556762
CIF file Formula: - C18 H17 N O10 -
Comments: Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ 2(Pt 3) (2015) 341-351
Space group: P 1 21/c 1
Cell volume: 1716.19
Cell parameters: 6.7323; 12.1142; 21.2077; 90; 97.146; 90;  

COD ID: 1556763
CIF file Formula: - C15 H16 N2 O9 -
Comments: Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ 2(Pt 3) (2015) 341-351
Space group: P 21 21 21
Cell volume: 1557.21
Cell parameters: 7.0213; 8.8214; 25.1416; 90; 90; 90;  

COD ID: 1556764
CIF file Formula: - C15 H16 N2 O9 -
Comments: Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ 2(Pt 3) (2015) 341-351
Space group: P -1
Cell volume: 791.35
Cell parameters: 4.9225; 11.7839; 13.854; 97.248; 96.773; 90.663;  

COD ID: 1556765
CIF file Formula: - C25 H29 N O17 -
Comments: Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ 2(Pt 3) (2015) 341-351
Space group: P -1
Cell volume: 1332.01
Cell parameters: 9.3161; 11.2092; 13.7362; 102.926; 104.398; 96.571;  

COD ID: 1556766
CIF file Formula: - C11 H9 N O5 -
Comments: Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ 2(Pt 3) (2015) 341-351
Space group: P 1 21/n 1
Cell volume: 1094.16
Cell parameters: 10.8426; 6.5202; 16.1326; 90; 106.391; 90;  

COD ID: 1556767
CIF file Formula: - C11 H9 N O6 -
Comments: Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ 2(Pt 3) (2015) 341-351
Space group: I 1 2/a 1
Cell volume: 2167.41
Cell parameters: 12.5506; 6.6807; 26.1586; 90; 98.815; 90;  

COD ID: 1556768
CIF file Formula: - C25 H27 N O17 -
Comments: Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ 2(Pt 3) (2015) 341-351
Space group: P -1
Cell volume: 1331.3
Cell parameters: 9.3796; 10.3981; 15.6415; 80.62; 72.913; 66.089;  

COD ID: 1556769
CIF file Formula: - C19 H19 N O8 -
Comments: Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ 2(Pt 3) (2015) 341-351
Space group: P c a 21
Cell volume: 3628.6
Cell parameters: 40.692; 5.4524; 16.3546; 90; 90; 90;  

COD ID: 1556770
CIF file Formula: - C12 H13 N O6 -
Comments: Kaur, Ramanpreet; Gautam, Raj; Cherukuvada, Suryanarayan; Guru Row, Tayur N. Do carboximide-carboxylic acid combinations form co-crystals? The role of hydroxyl substitution on the formation of co-crystals and eutectics. IUCrJ 2(Pt 3) (2015) 341-351
Space group: P -1
Cell volume: 593.92
Cell parameters: 6.6761; 9.1128; 10.9447; 93.397; 107.694; 108.173;  

COD ID: 1556771
CIF file Formula: - C18 H16 N2 O2 -
Comments: Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ 2(Pt 5) (2015) 523-533
Space group: C 1 2/c 1
Cell volume: 1567.5
Cell parameters: 18.451; 10.54; 8.157; 90; 98.824; 90;  

COD ID: 1556772
CIF file Formula: - C20 H20 N2 O2 -
Comments: Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ 2(Pt 5) (2015) 523-533
Space group: P 1 21/c 1
Cell volume: 810.1
Cell parameters: 17.899; 4.8544; 9.5259; 90; 101.847; 90;  

COD ID: 1556773
CIF file Formula: - C24 H28 N2 O2 -
Comments: Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ 2(Pt 5) (2015) 523-533
Space group: P 1 21/c 1
Cell volume: 2072.2
Cell parameters: 20.243; 4.9756; 20.839; 90; 99.148; 90;  

COD ID: 1556774
CIF file Formula: - C16 H14 N4 O2 -
Comments: Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ 2(Pt 5) (2015) 523-533
Space group: P 1 21/n 1
Cell volume: 709.1
Cell parameters: 4.7315; 9.213; 16.39; 90; 97.02; 90;  

COD ID: 1556775
CIF file Formula: - C18 H26 N4 O6 -
Comments: Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ 2(Pt 5) (2015) 523-533
Space group: P 1 21/c 1
Cell volume: 2032.7
Cell parameters: 9.353; 10.9015; 19.9985; 90; 94.547; 90;  

COD ID: 1556776
CIF file Formula: - C22 H30 N4 O4 -
Comments: Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ 2(Pt 5) (2015) 523-533
Space group: P 1 21/c 1
Cell volume: 1116.9
Cell parameters: 7.6364; 30.058; 4.8885; 90; 95.523; 90;  

COD ID: 1556777
CIF file Formula: - C16 H14 N4 O2 -
Comments: Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ 2(Pt 5) (2015) 523-533
Space group: P 1 21/c 1
Cell volume: 1403.2
Cell parameters: 10.403; 7.16; 19.202; 90; 101.156; 90;  

COD ID: 1556778
CIF file Formula: - C18 H18 N4 O2 -
Comments: Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ 2(Pt 5) (2015) 523-533
Space group: C 1 2/c 1
Cell volume: 3306.3
Cell parameters: 34.566; 9.3338; 10.4191; 90; 100.401; 90;  

COD ID: 1556779
CIF file Formula: - C18 H18 N4 O2 -
Comments: Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ 2(Pt 5) (2015) 523-533
Space group: P 1 21/n 1
Cell volume: 810.5
Cell parameters: 4.7967; 11.547; 14.726; 90; 96.451; 90;  

COD ID: 1556780
CIF file Formula: - C20 H26 N4 O4 -
Comments: Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ 2(Pt 5) (2015) 523-533
Space group: P 1 21/c 1
Cell volume: 968
Cell parameters: 12.78; 4.681; 16.21; 90; 93.42; 90;  

COD ID: 1556781
CIF file Formula: - C22 H30 N4 O4 -
Comments: Garai, Mousumi; Biradha, Kumar Exploration and exploitation of homologous series of bis(acrylamido)alkanes containing pyridyl and phenyl groups: β-sheet versus two-dimensional layers in solid-state photochemical [2 + 2] reactions. IUCrJ 2(Pt 5) (2015) 523-533
Space group: P 1 21/n 1
Cell volume: 1141.78
Cell parameters: 7.372; 4.9035; 31.586; 90; 90.197; 90;  

COD ID: 1556782
CIF file Formula: - C14 H12 F4 I N3 O -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P 1 21/c 1
Cell volume: 3162.1
Cell parameters: 13.9735; 17.2451; 13.6166; 90; 105.489; 90;  

COD ID: 1556783
CIF file Formula: - C16 H18 Br N3 O -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P -1
Cell volume: 761.9
Cell parameters: 7.809; 9.6156; 11.452; 101.314; 94.225; 113.541;  

COD ID: 1556784
CIF file Formula: - C23 H22 Br2 N2 O4 -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P -1
Cell volume: 1107.38
Cell parameters: 9.3718; 9.6497; 14.1666; 98.672; 105.769; 110.884;  

COD ID: 1556785
CIF file Formula: - C14 H15 Br N2 O2 -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P 1 21/c 1
Cell volume: 1360.2
Cell parameters: 13.5603; 8.17; 12.2863; 90; 92.157; 90;  

COD ID: 1556786
CIF file Formula: - C31 H19 F4 I N2 O4 -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: C 1 2 1
Cell volume: 2782.5
Cell parameters: 25.216; 6.0746; 19.0419; 90; 107.453; 90;  

COD ID: 1556787
CIF file Formula: - C17 H13 I N2 O2 -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P -1
Cell volume: 372.2
Cell parameters: 6.2888; 7.4027; 8.1348; 84.773; 82.604; 83.781;  

COD ID: 1556788
CIF file Formula: - C19 H17 I N2 O2 -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P 1 n 1
Cell volume: 854.8
Cell parameters: 10.7653; 7.3634; 11.4066; 90; 109.025; 90;  

COD ID: 1556789
CIF file Formula: - C14 H13 Br F4 N2 O -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P -1
Cell volume: 730.96
Cell parameters: 4.4175; 12.5878; 13.4274; 80.827; 82.672; 87.809;  

COD ID: 1556790
CIF file Formula: - C19 H13 Br F4 N2 O2 -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P -1
Cell volume: 861.66
Cell parameters: 4.8727; 10.7621; 16.595; 87.808; 85.332; 83.646;  

COD ID: 1556791
CIF file Formula: - C15 H14 F4 I N3 O -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P 1 21/c 1
Cell volume: 1621.01
Cell parameters: 4.1573; 14.8817; 26.2084; 90; 91.345; 90;  

COD ID: 1556792
CIF file Formula: - C19 H14 F4 I N3 O -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P 1 21/n 1
Cell volume: 1882.9
Cell parameters: 6.2801; 11.2226; 26.846; 90; 95.661; 90;  

COD ID: 1556793
CIF file Formula: - C15 H13 F4 I N2 O2 -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P n a 21
Cell volume: 1591.47
Cell parameters: 17.5616; 14.8078; 6.1199; 90; 90; 90;  

COD ID: 1556794
CIF file Formula: - C17 H9 F4 I N2 O2 -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P 1 21/c 1
Cell volume: 1614.42
Cell parameters: 12.1699; 11.1933; 12.2448; 90; 104.562; 90;  

COD ID: 1556795
CIF file Formula: - C26 H22 Br2 N2 O4 -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P -1
Cell volume: 576.53
Cell parameters: 7.1108; 7.4624; 11.2299; 93.434; 94.022; 103.373;  

COD ID: 1556796
CIF file Formula: - C24 H18 Br2 N2 O4 -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P 1 21/c 1
Cell volume: 3233.4
Cell parameters: 11.0467; 28.9658; 10.7956; 90; 110.603; 90;  

COD ID: 1556797
CIF file Formula: - C26 H14 Br2 F8 N4 O2 -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P -1
Cell volume: 1306.46
Cell parameters: 5.837; 12.8464; 18.1146; 103.537; 96.861; 93.06;  

COD ID: 1556798
CIF file Formula: - C22 H10 Br2 F8 N2 O2 -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P 1 21/c 1
Cell volume: 1058.58
Cell parameters: 13.6342; 5.8333; 13.3118; 90; 90.944; 90;  

COD ID: 1556799
CIF file Formula: - C24 H14 Br2 F8 N2 O2 -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: C 1 2/c 1
Cell volume: 2375.8
Cell parameters: 25.9125; 4.6925; 20.0909; 90; 103.464; 90;  

COD ID: 1556800
CIF file Formula: - C10 H5 F4 I N2 O2 -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P 1 21/n 1
Cell volume: 1132.7
Cell parameters: 11.701; 4.6121; 21.594; 90; 103.591; 90;  

COD ID: 1556801
CIF file Formula: - C12 H5 F4 I N2 O -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P 1 21/n 1
Cell volume: 1250.2
Cell parameters: 12.7258; 4.9322; 20.729; 90; 106.074; 90;  

COD ID: 1556802
CIF file Formula: - C11 H5 F4 I N2 O3 -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P -1
Cell volume: 624.68
Cell parameters: 4.2485; 11.6204; 13.8288; 110.206; 95.97; 98.531;  

COD ID: 1556803
CIF file Formula: - C13 H5 F4 I N2 O2 -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P 1 21/c 1
Cell volume: 2639.5
Cell parameters: 7.4234; 35.8851; 10.0949; 90; 101.028; 90;  

COD ID: 1556804
CIF file Formula: - C13 H9 Br N2 O2 -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P -1
Cell volume: 597.17
Cell parameters: 7.363; 7.48; 12.446; 80.617; 84.893; 62.018;  

COD ID: 1556805
CIF file Formula: - C12 H5 Br F4 N2 O -
Comments: Aakeröy, Christer B; Spartz, Christine L.; Dembowski, Sean; Dwyre, Savannah; Desper, John A systematic structural study of halogen bonding versus hydrogen bonding within competitive supramolecular systems. IUCrJ 2(Pt 5) (2015) 498-510
Space group: P 1 21/n 1
Cell volume: 1217.6
Cell parameters: 12.2763; 5.0037; 20.666; 90; 106.425; 90;  

COD ID: 1556806
CIF file Formula: - C42 H28 -
Comments: Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt Quantitative analysis of intermolecular interactions in orthorhombic rubrene. IUCrJ 2(Pt 5) (2015) 563-574
Space group: C m c e
Cell volume: 2715.19
Cell parameters: 26.7965; 7.1599; 14.1519; 90; 90; 90;  

COD ID: 1556807
CIF file Formula: - C42 H28 -
Comments: Hathwar, Venkatesha R.; Sist, Mattia; Jørgensen, Mads R V; Mamakhel, Aref H.; Wang, Xiaoping; Hoffmann, Christina M.; Sugimoto, Kunihisa; Overgaard, Jacob; Iversen, Bo Brummerstedt Quantitative analysis of intermolecular interactions in orthorhombic rubrene. IUCrJ 2(Pt 5) (2015) 563-574
Space group: C m c e
Cell volume: 2726.52
Cell parameters: 26.8106; 7.1602; 14.2029; 90; 90; 90;  


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