Crysalis red

Manufactured by Agilent Technologies

CrysAlis RED is a software suite for X-ray diffraction data collection and processing. It provides a comprehensive set of tools for controlling and operating X-ray diffraction instruments, including single-crystal and powder diffraction systems. The software's core function is to facilitate the acquisition, analysis, and management of X-ray diffraction data, enabling researchers to study the structural properties of materials.

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CrysAlis (1 citations)

107 protocols using crysalis red

Single Crystal X-Ray Diffraction Protocol

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Agilent Eos Gemini diffractometer

Absorption correction: multi-scan (CrysAlis PRO and CrysAlis RED, Agilent (2012 ▶ ). T_min = 0.881, T_max = 1.000

11343 measured reflections

6209 independent reflections

5042 reflections with I > 2σ(I)

R_int = 0.019

Yamuna T.S., Kaur M., Jasinski J.P., Anderson B.J, & Yathirajan H.S. (2014). Two tautomers in the same crystal: 3-(4-fluorophenyl)-1H-pyrazole and 5-(4-fluorophenyl)-1H-pyrazole. Acta Crystallographica Section E: Structure Reports Online, 70(Pt 9), o949-o950.

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Single-crystal X-ray Diffraction Analysis

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Agilent Xcalibur Atlas Gemini diffractometer

Absorption correction: analytical (CrysAlis RED; Agilent, 2012 ▶ ) T_min = 0.961, T_max = 0.977

12199 measured reflections

3757 independent reflections

3057 reflections with I > 2σ(I)

R_int = 0.023

Flores-Alamo M., Meléndrez-Luévano R., Ortiz Márquez J.A., Sansinenea Royano E, & Cabrera-Vivas B.M. (2014). Crystal structure of (E)-1-(2-nitrobenzylidene)-2,2-diphenylhydrazine. Acta Crystallographica Section E: Structure Reports Online, 70(Pt 9), o909-o910.

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Single Crystal X-Ray Analysis

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Data collection: CrysAlis PRO (Agilent, 2012 ▶ ); cell refinement: CrysAlis PRO; data reduction: CrysAlis RED (Agilent, 2012 ▶ ); program(s) used to solve structure: SUPERFLIP (Palatinus & Chapuis, 2007 ▶ ); program(s) used to refine structure: SHELXL2012 (Sheldrick, 2008 ▶ ); molecular graphics: OLEX2 (Dolomanov et al., 2009 ▶ ); software used to prepare material for publication: OLEX2.

Yamuna T.S., Kaur M., Jasinski J.P, & Yathirajan H.S. (2014). 4-(Pyrimidin-2-yl)piperazin-1-ium (E)-3-carboxyprop-2-enoate. Acta Crystallographica Section E: Structure Reports Online, 70(Pt 6), o702-o703.

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Single Crystal X-ray Structure Determination

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Data collection: CrysAlis PRO (Agilent, 2012 ▶ ); cell refinement: CrysAlis PRO; data reduction: CrysAlis RED (Agilent, 2012 ▶ ); program(s) used to solve structure: SUPERFLIP (Palatinus & Chapuis, 2007 ▶ ; Palatinus & van der Lee, 2008 ▶ ; Palatinus et al., 2012 ▶ ).; program(s) used to refine structure: SHELXL2012 (Sheldrick, 2008 ▶ ); molecular graphics: OLEX2 (Dolomanov et al., 2009 ▶ ); software used to prepare material for publication: OLEX2.

Anderson B.J., Shalit Z.A, & Jasinski J.P. (2014). N-Ethyl-2-[1-(2-hydroxynaphthalen-1-yl)ethylidene]hydrazinecarbothioamide. Acta Crystallographica Section E: Structure Reports Online, 70(Pt 6), o732.

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Single Crystal X-ray Diffraction Analysis

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Agilent Eos Gemini CCD diffractometer

Absorption correction: multi-scan (CrysAlis RED; Agilent, 2012 ▸ ) T_min = 0.419, T_max = 0.875

6087 measured reflections

1962 independent reflections

1774 reflections with I > 2σ(I)

R_int = 0.033

Sowmya H.B., Suresha Kumara T.H., Jasinski J.P., Millikan S.P, & Glidewell C. (2015). Crystal structure of (E)-2-fluorobenzaldehyde (pyridin-2-yl)hydrazone. Acta Crystallographica Section E: Crystallographic Communications, 71(Pt 5), o362-o363.

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Single Crystal X-Ray Diffraction Protocol

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Agilent Xcalibur Atlas Gemini diffractometer

Absorption correction: analytical (CrysAlis RED; Agilent, 2012 ▶ ) T_min = 0.87, T_max = 0.922

5879 measured reflections

3625 independent reflections

3022 reflections with I > 2σ(I)

R_int = 0.028

López-Rodríguez A.K., Lira-Rocha A, & Flores-Alamo M. (2014). Crystal structure of ethyl 3-anilino-2-{[bis(methylsulfanyl)methylidene]amino}-3-oxopropanoate. Acta Crystallographica Section E: Structure Reports Online, 70(Pt 9), o930-o931.

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Crystallographic Data Analysis Workflow

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Data collection: CrysAlis PRO (Agilent, 2014 ▸ ); cell refinement: CrysAlis PRO; data reduction: CrysAlis RED (Agilent, 2014 ▸ ); program(s) used to solve structure: SHELXT (Sheldrick, 2015a ▸ ); program(s) used to refine structure: SHELXL (Sheldrick, 2015b ▸ ); molecular graphics: OLEX2 (Dolomanov et al., 2009 ▸ ); software used to prepare material for publication: OLEX2.

Anderson B.J., Freedman M.B., Millikan S.P., Smolenski V.A, & Jasinski J.P. (2015). Crystal structure of 2-[2-(hydroxyimino)-1-phenylpropylidene]-N-phenylhydrazinecarbothioamide. Acta Crystallographica Section E: Crystallographic Communications, 71(Pt 10), o796-o797.

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Single Crystal X-Ray Analysis

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Kaur M., Jasinski J.P., Kavitha C.N., Yathirajan H.S, & Byrappa K. (2014). {2-[(2-Hydroxybenzylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl}(phenyl)methanone. Acta Crystallographica Section E: Structure Reports Online, 70(Pt 4), o476-o477.

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Single-crystal X-ray Structure Analysis

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Agilent Xcalibur (Eos Gemini) diffractometer

Absorption correction: multi-scan (CrysAlis PRO and CrysAlis RED; Agilent, 2012 ▶ ) T_min = 0.720, T_max = 1.000

12873 measured reflections

3991 independent reflections

3525 reflections with I > 2σ(I)

R_int = 0.041

Lopchuk J.M., Gribble G.W, & Jasinski J.P. (2014). Methyl 1-benzyl-5-methyl-2,4-diphenyl-1H-pyrrole-3-carboxylate. Acta Crystallographica Section E: Structure Reports Online, 70(Pt 3), o338-o339.

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Agilent Diffractometer Structural Determination

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Agilent Agilent (Eos, Gemini) diffractometer

Absorption correction: multi-scan (CrysAlis RED; Agilent, 2012 ▶ ) T_min = 0.582, T_max = 1.000

7059 measured reflections

2250 independent reflections

2065 reflections with I > 2σ(I)

R_int = 0.037

Narayana B., Nayak P.S., Sarojini B.K, & Jasinski J.P. (2014). 2-(2-Methylphenyl)-N-(1,3-thiazol-2-yl)acetamide. Acta Crystallographica Section E: Structure Reports Online, 70(Pt 6), o716.

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