The crystal structure of 2,3,4-trihydroxybenzoic- acid—pyrazine-2-carboxamide—water (1/1/1), C12H13N3O7-Reference-Cited by-同舟云学术

The crystal structure of 2,3,4-trihydroxybenzoic- acid—pyrazine-2-carboxamide—water (1/1/1), C₁₂H₁₃N₃O₇

Published:2022-11-01 Issue:1 Volume:238 Page:43-44
ISSN:1433-7266
Container-title:Zeitschrift für Kristallographie - New Crystal Structures
language:en
Short-container-title:

Author:

Jiang Cheng-Jun¹^ORCID,Wang Zhi-Hua²,Xia Ying-Fan¹^ORCID,Li Chao-Feng¹,Lin Shu-ting¹,Zhang Jia-rong¹

Affiliation:

1. School of Biological and Chemical Engineering, Zhejiang University of Science and Technology , Liuhe Road 318# , Hangzhou , China

2. Zhejiang Lepu Pharmaceutical Co., Ltd. , Binhai Road 29# , Taizhou , China

Abstract

Abstract C12H13N3O7, triclinic, P 1 ‾

$P\overline{1}$

(no. 2), a = 6.9878(9) Å, b = 7.0956(8) Å, c = 13.8113(15) Å, α = 88.745(5)°, β = 87.764(5)°, γ = 75.785(5)°, V = 663.27(14) Å3, Z = 2, Rgt (F) = 0.0455, wRref (F 2) = 0.1264, T = 296.15 K.

Publisher

Walter de Gruyter GmbH

Subject

Inorganic Chemistry,Condensed Matter Physics,General Materials Science

Link

https://www.degruyter.com/document/doi/10.1515/ncrs-2022-0464/pdf

Reference9 articles.

1. Bruker. Apex3 v. 2016.9-0 and SAINT v. 8.37A; Bruker Axs Inc.: Madison, Wisconsin, USA, 2016.

2. Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K., Puschmann, H. OLEX2: a complete structure solution, refinement and analysis program. J. Appl. Crystallogr. 2009, 42, 339–341; https://doi.org/10.1107/s0021889808042726.

3. Sheldrick, G. M. SHELXTL – integrated space-group and crystal-structure determination. Acta Crystallogr. 2015, A71, 3–8; https://doi.org/10.1107/s2053273314026370.

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

5. Wang, J. R., Ye, C., Zhu, B., Zhou, C., Mei, X. Pharmaceutical cocrystals of the anti-tuberculosis drug pyrazinamide with dicarboxylic and tricarboxylic acids. CrystEngComm 2015, 17, 747–752; https://doi.org/10.1039/c4ce02044h.