Crystallography Open Database

Information card for entry 2208901

2208900 << 2208901 >> 2208902

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Structure parameters

Chemical name	4-Benzoylhydrazono-1,4-dihydroquinazoline monohydrate
Formula	C15 H14 N4 O2
Calculated formula	C15 H14 N4 O2
SMILES	c12ccccc1NC=NC2=NNC(=O)c1ccccc1.O
Title of publication	4-Benzoylhydrazono-1,4-dihydroquinazoline monohydrate
Authors of publication	Xiu-Wen Li; Zhang-Lan Qin; Ting Wan
Journal of publication	Acta Crystallographica Section E
Year of publication	2006
Journal volume	62
Journal issue	5
Pages of publication	o1789 - o1790
a	16.9865 ± 0.0014 Å
b	7.2085 ± 0.0006 Å
c	22.1444 ± 0.0018 Å
α	90°
β	92.022 ± 0.001°
γ	90°
Cell volume	2709.8 ± 0.4 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1448
Weighted residual factors for all reflections included in the refinement	0.1495
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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