The crystal structure of N1,N3-bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)\ propanediamide hydrate, C25H26N6O4, 2(H2O)-Reference-Cited by-同舟云学术

The crystal structure of N1,N3-bis(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)\ propanediamide hydrate, C₂₅H₂₆N₆O₄, 2(H₂O)

Published:2024-01-24 Issue:2 Volume:239 Page:241-243
ISSN:1433-7266
Container-title:Zeitschrift für Kristallographie - New Crystal Structures
language:en
Short-container-title:

Author:

Smith Mark G.¹^ORCID,Lemmerer Andreas²

Affiliation:

1. Chemistry Department , University of South Africa , Unisa Science Campus 28, Pioneer Avenue Florida , Roodepoort , Gauteng , South Africa

2. School of Chemistry, Molecular Sciences Institute , University of the Witwatersrand , Johannesburg , Gauteng , South Africa

Abstract

Abstract C25H26N6O4, 2(H2O), triclinic, P 1 ‾

$P\overline{1}$

(no. 2), a = 9.8423(6) Å, b = 11.2923(7) Å, c = 13.3810(8) Å, α = 69.053(3)°, β = 73.926(4)°, γ = 68.979(3)°, V = 1277.49(14) Å3, Z = 2, R gt (F) = 0.0757, wR ref (F 2) = 0.2364, T = 173 K.

Funder

University of the Witwatersrand and the Molecular Sciences Institute

Chemistry Department of the University of South Africa

Wits Friedel Sellschop

Publisher

Walter de Gruyter GmbH

Link

https://www.degruyter.com/document/doi/10.1515/ncrs-2023-0507/pdf

Reference11 articles.

1. Bruker. APEX2 (Version 2012.10–0), SAINT (Version 27B), Sadabs (Version 2012/1); BrukerAXS Inc.: Madison, Wisconsin, USA, 2012.

2. Sheldrick, G. M. SHELXTL – Integrated Space-Group and Crystal-Structure Determination. Acta Crystallogr. 2015, A71, 3–8.

3. Sheldrick, G. M. Crystal Structure Refinement with SHELXL. Acta Crystallogr. 2015, C71, 3–8; https://doi.org/10.1107/s2053229614024218.

4. Farrugia, L. J. WinGX and ORTEP for Windows: An Update. J. Appl. Crystallogr. 2012, 45, 849–854; https://doi.org/10.1107/s0021889812029111.

5. Spek, A. L. Structure Validation in Chemical Crystallography. Acta Crystallogr. 2009, D65, 148–155; https://doi.org/10.1107/s090744490804362x.